================================================================================
Applicability domain analysis summary
================================================================================

【Baseline AD analysis results】
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baseline_gbdt_strategyA:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 8.3059
  Distance threshold: 14.7917
[Comprehensive judgment]
  In-domain: 502 (77.59%)
  Out-of-domain: 145 (22.41%)
  Method consistency: 78.67%
============================================================

baseline_gbdt_strategyA:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 8.3059
  Distance threshold: 14.7917
[Comprehensive judgment]
  In-domain: 502 (77.59%)
  Out-of-domain: 145 (22.41%)
  Method consistency: 78.67%
============================================================

baseline_gbdt_strategyA:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 8.3059
  Distance threshold: 14.7917
[Comprehensive judgment]
  In-domain: 502 (77.59%)
  Out-of-domain: 145 (22.41%)
  Method consistency: 78.67%
============================================================

baseline_gbdt_strategyB_fruity:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 619 (95.67%)
  Out-of-domain: 28 (4.33%)
  Average distance: 1.6258
  Distance threshold: 3.4645
[Comprehensive judgment]
  In-domain: 511 (78.98%)
  Out-of-domain: 136 (21.02%)
  Method consistency: 80.37%
============================================================

baseline_gbdt_strategyB_fruity:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 619 (95.67%)
  Out-of-domain: 28 (4.33%)
  Average distance: 1.6258
  Distance threshold: 3.4645
[Comprehensive judgment]
  In-domain: 511 (78.98%)
  Out-of-domain: 136 (21.02%)
  Method consistency: 80.37%
============================================================

baseline_gbdt_strategyB_fruity:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 619 (95.67%)
  Out-of-domain: 28 (4.33%)
  Average distance: 1.6258
  Distance threshold: 3.4645
[Comprehensive judgment]
  In-domain: 511 (78.98%)
  Out-of-domain: 136 (21.02%)
  Method consistency: 80.37%
============================================================

baseline_gbdt_strategyB_green:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 611 (94.44%)
  Out-of-domain: 36 (5.56%)
  Average distance: 1.2917
  Distance threshold: 2.5894
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.13%
============================================================

baseline_gbdt_strategyB_green:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 611 (94.44%)
  Out-of-domain: 36 (5.56%)
  Average distance: 1.2917
  Distance threshold: 2.5894
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.13%
============================================================

baseline_gbdt_strategyB_green:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 611 (94.44%)
  Out-of-domain: 36 (5.56%)
  Average distance: 1.2917
  Distance threshold: 2.5894
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.13%
============================================================

baseline_gbdt_strategyB_sweet:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 610 (94.28%)
  Out-of-domain: 37 (5.72%)
  Average distance: 0.6887
  Distance threshold: 1.5451
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.29%
============================================================

baseline_gbdt_strategyB_sweet:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 610 (94.28%)
  Out-of-domain: 37 (5.72%)
  Average distance: 0.6887
  Distance threshold: 1.5451
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.29%
============================================================

baseline_gbdt_strategyB_sweet:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 610 (94.28%)
  Out-of-domain: 37 (5.72%)
  Average distance: 0.6887
  Distance threshold: 1.5451
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.29%
============================================================

baseline_gbdt_strategyB_woody:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 614 (94.90%)
  Out-of-domain: 33 (5.10%)
  Average distance: 0.7837
  Distance threshold: 1.6007
[Comprehensive judgment]
  In-domain: 506 (78.21%)
  Out-of-domain: 141 (21.79%)
  Method consistency: 79.60%
============================================================

baseline_gbdt_strategyB_woody:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 614 (94.90%)
  Out-of-domain: 33 (5.10%)
  Average distance: 0.7837
  Distance threshold: 1.6007
[Comprehensive judgment]
  In-domain: 506 (78.21%)
  Out-of-domain: 141 (21.79%)
  Method consistency: 79.60%
============================================================

baseline_gbdt_strategyB_woody:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 614 (94.90%)
  Out-of-domain: 33 (5.10%)
  Average distance: 0.7837
  Distance threshold: 1.6007
[Comprehensive judgment]
  In-domain: 506 (78.21%)
  Out-of-domain: 141 (21.79%)
  Method consistency: 79.60%
============================================================

baseline_gbdt_strategyC_kernel_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 608 (93.97%)
  Out-of-domain: 39 (6.03%)
  Average distance: 17.5378
  Distance threshold: 34.0123
[Comprehensive judgment]
  In-domain: 499 (77.13%)
  Out-of-domain: 148 (22.87%)
  Method consistency: 78.36%
============================================================

baseline_gbdt_strategyC_kernel_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 608 (93.97%)
  Out-of-domain: 39 (6.03%)
  Average distance: 17.5378
  Distance threshold: 34.0123
[Comprehensive judgment]
  In-domain: 499 (77.13%)
  Out-of-domain: 148 (22.87%)
  Method consistency: 78.36%
============================================================

baseline_gbdt_strategyC_kernel_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 608 (93.97%)
  Out-of-domain: 39 (6.03%)
  Average distance: 17.5378
  Distance threshold: 34.0123
[Comprehensive judgment]
  In-domain: 499 (77.13%)
  Out-of-domain: 148 (22.87%)
  Method consistency: 78.36%
============================================================

baseline_gbdt_strategyC_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 3.2616
  Distance threshold: 5.7718
[Comprehensive judgment]
  In-domain: 505 (78.05%)
  Out-of-domain: 142 (21.95%)
  Method consistency: 79.60%
============================================================

baseline_gbdt_strategyC_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 3.2616
  Distance threshold: 5.7718
[Comprehensive judgment]
  In-domain: 505 (78.05%)
  Out-of-domain: 142 (21.95%)
  Method consistency: 79.60%
============================================================

baseline_gbdt_strategyC_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 3.2616
  Distance threshold: 5.7718
[Comprehensive judgment]
  In-domain: 505 (78.05%)
  Out-of-domain: 142 (21.95%)
  Method consistency: 79.60%
============================================================

baseline_lgb_strategyA:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 8.3059
  Distance threshold: 14.7917
[Comprehensive judgment]
  In-domain: 502 (77.59%)
  Out-of-domain: 145 (22.41%)
  Method consistency: 78.67%
============================================================

baseline_lgb_strategyA:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 8.3059
  Distance threshold: 14.7917
[Comprehensive judgment]
  In-domain: 502 (77.59%)
  Out-of-domain: 145 (22.41%)
  Method consistency: 78.67%
============================================================

baseline_lgb_strategyA:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 8.3059
  Distance threshold: 14.7917
[Comprehensive judgment]
  In-domain: 502 (77.59%)
  Out-of-domain: 145 (22.41%)
  Method consistency: 78.67%
============================================================

baseline_mlp_strategyA:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 8.3059
  Distance threshold: 14.7917
[Comprehensive judgment]
  In-domain: 502 (77.59%)
  Out-of-domain: 145 (22.41%)
  Method consistency: 78.67%
============================================================

baseline_mlp_strategyA:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 8.3059
  Distance threshold: 14.7917
[Comprehensive judgment]
  In-domain: 502 (77.59%)
  Out-of-domain: 145 (22.41%)
  Method consistency: 78.67%
============================================================

baseline_mlp_strategyA:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 8.3059
  Distance threshold: 14.7917
[Comprehensive judgment]
  In-domain: 502 (77.59%)
  Out-of-domain: 145 (22.41%)
  Method consistency: 78.67%
============================================================

baseline_mlp_strategyB_fruity:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 619 (95.67%)
  Out-of-domain: 28 (4.33%)
  Average distance: 1.6258
  Distance threshold: 3.4645
[Comprehensive judgment]
  In-domain: 511 (78.98%)
  Out-of-domain: 136 (21.02%)
  Method consistency: 80.37%
============================================================

baseline_mlp_strategyB_fruity:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 619 (95.67%)
  Out-of-domain: 28 (4.33%)
  Average distance: 1.6258
  Distance threshold: 3.4645
[Comprehensive judgment]
  In-domain: 511 (78.98%)
  Out-of-domain: 136 (21.02%)
  Method consistency: 80.37%
============================================================

baseline_mlp_strategyB_fruity:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 619 (95.67%)
  Out-of-domain: 28 (4.33%)
  Average distance: 1.6258
  Distance threshold: 3.4645
[Comprehensive judgment]
  In-domain: 511 (78.98%)
  Out-of-domain: 136 (21.02%)
  Method consistency: 80.37%
============================================================

baseline_mlp_strategyB_green:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 611 (94.44%)
  Out-of-domain: 36 (5.56%)
  Average distance: 1.2917
  Distance threshold: 2.5894
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.13%
============================================================

baseline_mlp_strategyB_green:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 611 (94.44%)
  Out-of-domain: 36 (5.56%)
  Average distance: 1.2917
  Distance threshold: 2.5894
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.13%
============================================================

baseline_mlp_strategyB_green:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 611 (94.44%)
  Out-of-domain: 36 (5.56%)
  Average distance: 1.2917
  Distance threshold: 2.5894
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.13%
============================================================

baseline_mlp_strategyB_sweet:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 610 (94.28%)
  Out-of-domain: 37 (5.72%)
  Average distance: 0.6887
  Distance threshold: 1.5451
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.29%
============================================================

baseline_mlp_strategyB_sweet:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 610 (94.28%)
  Out-of-domain: 37 (5.72%)
  Average distance: 0.6887
  Distance threshold: 1.5451
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.29%
============================================================

baseline_mlp_strategyB_sweet:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 610 (94.28%)
  Out-of-domain: 37 (5.72%)
  Average distance: 0.6887
  Distance threshold: 1.5451
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.29%
============================================================

baseline_mlp_strategyB_woody:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 614 (94.90%)
  Out-of-domain: 33 (5.10%)
  Average distance: 0.7837
  Distance threshold: 1.6007
[Comprehensive judgment]
  In-domain: 506 (78.21%)
  Out-of-domain: 141 (21.79%)
  Method consistency: 79.60%
============================================================

baseline_mlp_strategyB_woody:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 614 (94.90%)
  Out-of-domain: 33 (5.10%)
  Average distance: 0.7837
  Distance threshold: 1.6007
[Comprehensive judgment]
  In-domain: 506 (78.21%)
  Out-of-domain: 141 (21.79%)
  Method consistency: 79.60%
============================================================

baseline_mlp_strategyB_woody:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 614 (94.90%)
  Out-of-domain: 33 (5.10%)
  Average distance: 0.7837
  Distance threshold: 1.6007
[Comprehensive judgment]
  In-domain: 506 (78.21%)
  Out-of-domain: 141 (21.79%)
  Method consistency: 79.60%
============================================================

baseline_mlp_strategyC_kernel_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 608 (93.97%)
  Out-of-domain: 39 (6.03%)
  Average distance: 17.5378
  Distance threshold: 34.0123
[Comprehensive judgment]
  In-domain: 499 (77.13%)
  Out-of-domain: 148 (22.87%)
  Method consistency: 78.36%
============================================================

baseline_mlp_strategyC_kernel_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 608 (93.97%)
  Out-of-domain: 39 (6.03%)
  Average distance: 17.5378
  Distance threshold: 34.0123
[Comprehensive judgment]
  In-domain: 499 (77.13%)
  Out-of-domain: 148 (22.87%)
  Method consistency: 78.36%
============================================================

baseline_mlp_strategyC_kernel_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 608 (93.97%)
  Out-of-domain: 39 (6.03%)
  Average distance: 17.5378
  Distance threshold: 34.0123
[Comprehensive judgment]
  In-domain: 499 (77.13%)
  Out-of-domain: 148 (22.87%)
  Method consistency: 78.36%
============================================================

baseline_mlp_strategyC_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 3.2616
  Distance threshold: 5.7718
[Comprehensive judgment]
  In-domain: 505 (78.05%)
  Out-of-domain: 142 (21.95%)
  Method consistency: 79.60%
============================================================

baseline_mlp_strategyC_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 3.2616
  Distance threshold: 5.7718
[Comprehensive judgment]
  In-domain: 505 (78.05%)
  Out-of-domain: 142 (21.95%)
  Method consistency: 79.60%
============================================================

baseline_mlp_strategyC_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 3.2616
  Distance threshold: 5.7718
[Comprehensive judgment]
  In-domain: 505 (78.05%)
  Out-of-domain: 142 (21.95%)
  Method consistency: 79.60%
============================================================

baseline_rf_strategyA:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 8.3059
  Distance threshold: 14.7917
[Comprehensive judgment]
  In-domain: 502 (77.59%)
  Out-of-domain: 145 (22.41%)
  Method consistency: 78.67%
============================================================

baseline_rf_strategyA:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 8.3059
  Distance threshold: 14.7917
[Comprehensive judgment]
  In-domain: 502 (77.59%)
  Out-of-domain: 145 (22.41%)
  Method consistency: 78.67%
============================================================

baseline_rf_strategyA:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 8.3059
  Distance threshold: 14.7917
[Comprehensive judgment]
  In-domain: 502 (77.59%)
  Out-of-domain: 145 (22.41%)
  Method consistency: 78.67%
============================================================

baseline_rf_strategyB_fruity:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 619 (95.67%)
  Out-of-domain: 28 (4.33%)
  Average distance: 1.6258
  Distance threshold: 3.4645
[Comprehensive judgment]
  In-domain: 511 (78.98%)
  Out-of-domain: 136 (21.02%)
  Method consistency: 80.37%
============================================================

baseline_rf_strategyB_fruity:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 619 (95.67%)
  Out-of-domain: 28 (4.33%)
  Average distance: 1.6258
  Distance threshold: 3.4645
[Comprehensive judgment]
  In-domain: 511 (78.98%)
  Out-of-domain: 136 (21.02%)
  Method consistency: 80.37%
============================================================

baseline_rf_strategyB_fruity:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 619 (95.67%)
  Out-of-domain: 28 (4.33%)
  Average distance: 1.6258
  Distance threshold: 3.4645
[Comprehensive judgment]
  In-domain: 511 (78.98%)
  Out-of-domain: 136 (21.02%)
  Method consistency: 80.37%
============================================================

baseline_rf_strategyB_green:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 611 (94.44%)
  Out-of-domain: 36 (5.56%)
  Average distance: 1.2917
  Distance threshold: 2.5894
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.13%
============================================================

baseline_rf_strategyB_green:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 611 (94.44%)
  Out-of-domain: 36 (5.56%)
  Average distance: 1.2917
  Distance threshold: 2.5894
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.13%
============================================================

baseline_rf_strategyB_green:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 611 (94.44%)
  Out-of-domain: 36 (5.56%)
  Average distance: 1.2917
  Distance threshold: 2.5894
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.13%
============================================================

baseline_rf_strategyB_sweet:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 610 (94.28%)
  Out-of-domain: 37 (5.72%)
  Average distance: 0.6887
  Distance threshold: 1.5451
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.29%
============================================================

baseline_rf_strategyB_sweet:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 610 (94.28%)
  Out-of-domain: 37 (5.72%)
  Average distance: 0.6887
  Distance threshold: 1.5451
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.29%
============================================================

baseline_rf_strategyB_sweet:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 610 (94.28%)
  Out-of-domain: 37 (5.72%)
  Average distance: 0.6887
  Distance threshold: 1.5451
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.29%
============================================================

baseline_rf_strategyB_woody:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 614 (94.90%)
  Out-of-domain: 33 (5.10%)
  Average distance: 0.7837
  Distance threshold: 1.6007
[Comprehensive judgment]
  In-domain: 506 (78.21%)
  Out-of-domain: 141 (21.79%)
  Method consistency: 79.60%
============================================================

baseline_rf_strategyB_woody:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 614 (94.90%)
  Out-of-domain: 33 (5.10%)
  Average distance: 0.7837
  Distance threshold: 1.6007
[Comprehensive judgment]
  In-domain: 506 (78.21%)
  Out-of-domain: 141 (21.79%)
  Method consistency: 79.60%
============================================================

baseline_rf_strategyB_woody:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 614 (94.90%)
  Out-of-domain: 33 (5.10%)
  Average distance: 0.7837
  Distance threshold: 1.6007
[Comprehensive judgment]
  In-domain: 506 (78.21%)
  Out-of-domain: 141 (21.79%)
  Method consistency: 79.60%
============================================================

baseline_rf_strategyC_kernel_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 608 (93.97%)
  Out-of-domain: 39 (6.03%)
  Average distance: 17.5378
  Distance threshold: 34.0123
[Comprehensive judgment]
  In-domain: 499 (77.13%)
  Out-of-domain: 148 (22.87%)
  Method consistency: 78.36%
============================================================

baseline_rf_strategyC_kernel_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 608 (93.97%)
  Out-of-domain: 39 (6.03%)
  Average distance: 17.5378
  Distance threshold: 34.0123
[Comprehensive judgment]
  In-domain: 499 (77.13%)
  Out-of-domain: 148 (22.87%)
  Method consistency: 78.36%
============================================================

baseline_rf_strategyC_kernel_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 608 (93.97%)
  Out-of-domain: 39 (6.03%)
  Average distance: 17.5378
  Distance threshold: 34.0123
[Comprehensive judgment]
  In-domain: 499 (77.13%)
  Out-of-domain: 148 (22.87%)
  Method consistency: 78.36%
============================================================

baseline_rf_strategyC_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 3.2616
  Distance threshold: 5.7718
[Comprehensive judgment]
  In-domain: 505 (78.05%)
  Out-of-domain: 142 (21.95%)
  Method consistency: 79.60%
============================================================

baseline_rf_strategyC_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 3.2616
  Distance threshold: 5.7718
[Comprehensive judgment]
  In-domain: 505 (78.05%)
  Out-of-domain: 142 (21.95%)
  Method consistency: 79.60%
============================================================

baseline_rf_strategyC_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 3.2616
  Distance threshold: 5.7718
[Comprehensive judgment]
  In-domain: 505 (78.05%)
  Out-of-domain: 142 (21.95%)
  Method consistency: 79.60%
============================================================

baseline_svm_strategyA:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 8.3059
  Distance threshold: 14.7917
[Comprehensive judgment]
  In-domain: 502 (77.59%)
  Out-of-domain: 145 (22.41%)
  Method consistency: 78.67%
============================================================

baseline_svm_strategyA:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 8.3059
  Distance threshold: 14.7917
[Comprehensive judgment]
  In-domain: 502 (77.59%)
  Out-of-domain: 145 (22.41%)
  Method consistency: 78.67%
============================================================

baseline_svm_strategyA:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 8.3059
  Distance threshold: 14.7917
[Comprehensive judgment]
  In-domain: 502 (77.59%)
  Out-of-domain: 145 (22.41%)
  Method consistency: 78.67%
============================================================

baseline_svm_strategyB_fruity:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 619 (95.67%)
  Out-of-domain: 28 (4.33%)
  Average distance: 1.6258
  Distance threshold: 3.4645
[Comprehensive judgment]
  In-domain: 511 (78.98%)
  Out-of-domain: 136 (21.02%)
  Method consistency: 80.37%
============================================================

baseline_svm_strategyB_fruity:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 619 (95.67%)
  Out-of-domain: 28 (4.33%)
  Average distance: 1.6258
  Distance threshold: 3.4645
[Comprehensive judgment]
  In-domain: 511 (78.98%)
  Out-of-domain: 136 (21.02%)
  Method consistency: 80.37%
============================================================

baseline_svm_strategyB_fruity:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 619 (95.67%)
  Out-of-domain: 28 (4.33%)
  Average distance: 1.6258
  Distance threshold: 3.4645
[Comprehensive judgment]
  In-domain: 511 (78.98%)
  Out-of-domain: 136 (21.02%)
  Method consistency: 80.37%
============================================================

baseline_svm_strategyB_green:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 611 (94.44%)
  Out-of-domain: 36 (5.56%)
  Average distance: 1.2917
  Distance threshold: 2.5894
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.13%
============================================================

baseline_svm_strategyB_green:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 611 (94.44%)
  Out-of-domain: 36 (5.56%)
  Average distance: 1.2917
  Distance threshold: 2.5894
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.13%
============================================================

baseline_svm_strategyB_green:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 611 (94.44%)
  Out-of-domain: 36 (5.56%)
  Average distance: 1.2917
  Distance threshold: 2.5894
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.13%
============================================================

baseline_svm_strategyB_sweet:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 610 (94.28%)
  Out-of-domain: 37 (5.72%)
  Average distance: 0.6887
  Distance threshold: 1.5451
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.29%
============================================================

baseline_svm_strategyB_sweet:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 610 (94.28%)
  Out-of-domain: 37 (5.72%)
  Average distance: 0.6887
  Distance threshold: 1.5451
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.29%
============================================================

baseline_svm_strategyB_sweet:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 610 (94.28%)
  Out-of-domain: 37 (5.72%)
  Average distance: 0.6887
  Distance threshold: 1.5451
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.29%
============================================================

baseline_svm_strategyB_woody:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 614 (94.90%)
  Out-of-domain: 33 (5.10%)
  Average distance: 0.7837
  Distance threshold: 1.6007
[Comprehensive judgment]
  In-domain: 506 (78.21%)
  Out-of-domain: 141 (21.79%)
  Method consistency: 79.60%
============================================================

baseline_svm_strategyB_woody:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 614 (94.90%)
  Out-of-domain: 33 (5.10%)
  Average distance: 0.7837
  Distance threshold: 1.6007
[Comprehensive judgment]
  In-domain: 506 (78.21%)
  Out-of-domain: 141 (21.79%)
  Method consistency: 79.60%
============================================================

baseline_svm_strategyB_woody:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 614 (94.90%)
  Out-of-domain: 33 (5.10%)
  Average distance: 0.7837
  Distance threshold: 1.6007
[Comprehensive judgment]
  In-domain: 506 (78.21%)
  Out-of-domain: 141 (21.79%)
  Method consistency: 79.60%
============================================================

baseline_svm_strategyC_kernel_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 608 (93.97%)
  Out-of-domain: 39 (6.03%)
  Average distance: 17.5378
  Distance threshold: 34.0123
[Comprehensive judgment]
  In-domain: 499 (77.13%)
  Out-of-domain: 148 (22.87%)
  Method consistency: 78.36%
============================================================

baseline_svm_strategyC_kernel_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 608 (93.97%)
  Out-of-domain: 39 (6.03%)
  Average distance: 17.5378
  Distance threshold: 34.0123
[Comprehensive judgment]
  In-domain: 499 (77.13%)
  Out-of-domain: 148 (22.87%)
  Method consistency: 78.36%
============================================================

baseline_svm_strategyC_kernel_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 608 (93.97%)
  Out-of-domain: 39 (6.03%)
  Average distance: 17.5378
  Distance threshold: 34.0123
[Comprehensive judgment]
  In-domain: 499 (77.13%)
  Out-of-domain: 148 (22.87%)
  Method consistency: 78.36%
============================================================

baseline_svm_strategyC_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 3.2616
  Distance threshold: 5.7718
[Comprehensive judgment]
  In-domain: 505 (78.05%)
  Out-of-domain: 142 (21.95%)
  Method consistency: 79.60%
============================================================

baseline_svm_strategyC_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 3.2616
  Distance threshold: 5.7718
[Comprehensive judgment]
  In-domain: 505 (78.05%)
  Out-of-domain: 142 (21.95%)
  Method consistency: 79.60%
============================================================

baseline_svm_strategyC_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 3.2616
  Distance threshold: 5.7718
[Comprehensive judgment]
  In-domain: 505 (78.05%)
  Out-of-domain: 142 (21.95%)
  Method consistency: 79.60%
============================================================

baseline_xgb_strategyB_fruity:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 619 (95.67%)
  Out-of-domain: 28 (4.33%)
  Average distance: 1.6258
  Distance threshold: 3.4645
[Comprehensive judgment]
  In-domain: 511 (78.98%)
  Out-of-domain: 136 (21.02%)
  Method consistency: 80.37%
============================================================

baseline_xgb_strategyB_fruity:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 619 (95.67%)
  Out-of-domain: 28 (4.33%)
  Average distance: 1.6258
  Distance threshold: 3.4645
[Comprehensive judgment]
  In-domain: 511 (78.98%)
  Out-of-domain: 136 (21.02%)
  Method consistency: 80.37%
============================================================

baseline_xgb_strategyB_fruity:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 619 (95.67%)
  Out-of-domain: 28 (4.33%)
  Average distance: 1.6258
  Distance threshold: 3.4645
[Comprehensive judgment]
  In-domain: 511 (78.98%)
  Out-of-domain: 136 (21.02%)
  Method consistency: 80.37%
============================================================

baseline_xgb_strategyB_green:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 611 (94.44%)
  Out-of-domain: 36 (5.56%)
  Average distance: 1.2917
  Distance threshold: 2.5894
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.13%
============================================================

baseline_xgb_strategyB_green:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 611 (94.44%)
  Out-of-domain: 36 (5.56%)
  Average distance: 1.2917
  Distance threshold: 2.5894
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.13%
============================================================

baseline_xgb_strategyB_green:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 611 (94.44%)
  Out-of-domain: 36 (5.56%)
  Average distance: 1.2917
  Distance threshold: 2.5894
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.13%
============================================================

baseline_xgb_strategyB_sweet:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 610 (94.28%)
  Out-of-domain: 37 (5.72%)
  Average distance: 0.6887
  Distance threshold: 1.5451
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.29%
============================================================

baseline_xgb_strategyB_sweet:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 610 (94.28%)
  Out-of-domain: 37 (5.72%)
  Average distance: 0.6887
  Distance threshold: 1.5451
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.29%
============================================================

baseline_xgb_strategyB_sweet:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 610 (94.28%)
  Out-of-domain: 37 (5.72%)
  Average distance: 0.6887
  Distance threshold: 1.5451
[Comprehensive judgment]
  In-domain: 503 (77.74%)
  Out-of-domain: 144 (22.26%)
  Method consistency: 79.29%
============================================================

baseline_xgb_strategyB_woody:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 614 (94.90%)
  Out-of-domain: 33 (5.10%)
  Average distance: 0.7837
  Distance threshold: 1.6007
[Comprehensive judgment]
  In-domain: 506 (78.21%)
  Out-of-domain: 141 (21.79%)
  Method consistency: 79.60%
============================================================

baseline_xgb_strategyB_woody:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 614 (94.90%)
  Out-of-domain: 33 (5.10%)
  Average distance: 0.7837
  Distance threshold: 1.6007
[Comprehensive judgment]
  In-domain: 506 (78.21%)
  Out-of-domain: 141 (21.79%)
  Method consistency: 79.60%
============================================================

baseline_xgb_strategyB_woody:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 614 (94.90%)
  Out-of-domain: 33 (5.10%)
  Average distance: 0.7837
  Distance threshold: 1.6007
[Comprehensive judgment]
  In-domain: 506 (78.21%)
  Out-of-domain: 141 (21.79%)
  Method consistency: 79.60%
============================================================

baseline_xgb_strategyC_kernel_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 608 (93.97%)
  Out-of-domain: 39 (6.03%)
  Average distance: 17.5378
  Distance threshold: 34.0123
[Comprehensive judgment]
  In-domain: 499 (77.13%)
  Out-of-domain: 148 (22.87%)
  Method consistency: 78.36%
============================================================

baseline_xgb_strategyC_kernel_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 608 (93.97%)
  Out-of-domain: 39 (6.03%)
  Average distance: 17.5378
  Distance threshold: 34.0123
[Comprehensive judgment]
  In-domain: 499 (77.13%)
  Out-of-domain: 148 (22.87%)
  Method consistency: 78.36%
============================================================

baseline_xgb_strategyC_kernel_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 608 (93.97%)
  Out-of-domain: 39 (6.03%)
  Average distance: 17.5378
  Distance threshold: 34.0123
[Comprehensive judgment]
  In-domain: 499 (77.13%)
  Out-of-domain: 148 (22.87%)
  Method consistency: 78.36%
============================================================

baseline_xgb_strategyC_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 3.2616
  Distance threshold: 5.7718
[Comprehensive judgment]
  In-domain: 505 (78.05%)
  Out-of-domain: 142 (21.95%)
  Method consistency: 79.60%
============================================================

baseline_xgb_strategyC_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 3.2616
  Distance threshold: 5.7718
[Comprehensive judgment]
  In-domain: 505 (78.05%)
  Out-of-domain: 142 (21.95%)
  Method consistency: 79.60%
============================================================

baseline_xgb_strategyC_pca:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 3.2616
  Distance threshold: 5.7718
[Comprehensive judgment]
  In-domain: 505 (78.05%)
  Out-of-domain: 142 (21.95%)
  Method consistency: 79.60%
============================================================

gat_goodscent:
[Tanimoto similarity analysis]
  In-domain: 551 (79.86%)
  Out-of-domain: 139 (20.14%)
  Average similarity: 0.6897
  Minimum similarity: 0.1765
[Distance-based analysis]
  In-domain: 654 (94.78%)
  Out-of-domain: 36 (5.22%)
  Average distance: 1.4979
  Distance threshold: 3.7467
[Comprehensive judgment]
  In-domain: 537 (77.83%)
  Out-of-domain: 153 (22.17%)
  Method consistency: 81.01%
============================================================

gat_goodscent:
[Tanimoto similarity analysis]
  In-domain: 551 (79.86%)
  Out-of-domain: 139 (20.14%)
  Average similarity: 0.6897
  Minimum similarity: 0.1765
[Distance-based analysis]
  In-domain: 654 (94.78%)
  Out-of-domain: 36 (5.22%)
  Average distance: 1.4979
  Distance threshold: 3.7467
[Comprehensive judgment]
  In-domain: 537 (77.83%)
  Out-of-domain: 153 (22.17%)
  Method consistency: 81.01%
============================================================

gat_goodscent:
[Tanimoto similarity analysis]
  In-domain: 551 (79.86%)
  Out-of-domain: 139 (20.14%)
  Average similarity: 0.6897
  Minimum similarity: 0.1765
[Distance-based analysis]
  In-domain: 654 (94.78%)
  Out-of-domain: 36 (5.22%)
  Average distance: 1.4979
  Distance threshold: 3.7467
[Comprehensive judgment]
  In-domain: 537 (77.83%)
  Out-of-domain: 153 (22.17%)
  Method consistency: 81.01%
============================================================

gat_leffingwell:
[Tanimoto similarity analysis]
  In-domain: 556 (78.87%)
  Out-of-domain: 149 (21.13%)
  Average similarity: 0.6608
  Minimum similarity: 0.1667
[Distance-based analysis]
  In-domain: 675 (95.74%)
  Out-of-domain: 30 (4.26%)
  Average distance: 1.5453
  Distance threshold: 3.2638
[Comprehensive judgment]
  In-domain: 545 (77.30%)
  Out-of-domain: 160 (22.70%)
  Method consistency: 80.00%
============================================================

gat_leffingwell:
[Tanimoto similarity analysis]
  In-domain: 556 (78.87%)
  Out-of-domain: 149 (21.13%)
  Average similarity: 0.6608
  Minimum similarity: 0.1667
[Distance-based analysis]
  In-domain: 675 (95.74%)
  Out-of-domain: 30 (4.26%)
  Average distance: 1.5453
  Distance threshold: 3.2638
[Comprehensive judgment]
  In-domain: 545 (77.30%)
  Out-of-domain: 160 (22.70%)
  Method consistency: 80.00%
============================================================

gat_leffingwell:
[Tanimoto similarity analysis]
  In-domain: 556 (78.87%)
  Out-of-domain: 149 (21.13%)
  Average similarity: 0.6608
  Minimum similarity: 0.1667
[Distance-based analysis]
  In-domain: 675 (95.74%)
  Out-of-domain: 30 (4.26%)
  Average distance: 1.5453
  Distance threshold: 3.2638
[Comprehensive judgment]
  In-domain: 545 (77.30%)
  Out-of-domain: 160 (22.70%)
  Method consistency: 80.00%
============================================================

gcn_goodscent:
[Tanimoto similarity analysis]
  In-domain: 551 (79.86%)
  Out-of-domain: 139 (20.14%)
  Average similarity: 0.6897
  Minimum similarity: 0.1765
[Distance-based analysis]
  In-domain: 656 (95.07%)
  Out-of-domain: 34 (4.93%)
  Average distance: 0.2545
  Distance threshold: 0.6401
[Comprehensive judgment]
  In-domain: 538 (77.97%)
  Out-of-domain: 152 (22.03%)
  Method consistency: 81.01%
============================================================

gcn_goodscent:
[Tanimoto similarity analysis]
  In-domain: 551 (79.86%)
  Out-of-domain: 139 (20.14%)
  Average similarity: 0.6897
  Minimum similarity: 0.1765
[Distance-based analysis]
  In-domain: 656 (95.07%)
  Out-of-domain: 34 (4.93%)
  Average distance: 0.2545
  Distance threshold: 0.6401
[Comprehensive judgment]
  In-domain: 538 (77.97%)
  Out-of-domain: 152 (22.03%)
  Method consistency: 81.01%
============================================================

gcn_goodscent:
[Tanimoto similarity analysis]
  In-domain: 551 (79.86%)
  Out-of-domain: 139 (20.14%)
  Average similarity: 0.6897
  Minimum similarity: 0.1765
[Distance-based analysis]
  In-domain: 656 (95.07%)
  Out-of-domain: 34 (4.93%)
  Average distance: 0.2545
  Distance threshold: 0.6401
[Comprehensive judgment]
  In-domain: 538 (77.97%)
  Out-of-domain: 152 (22.03%)
  Method consistency: 81.01%
============================================================

gcn_leffingwell:
[Tanimoto similarity analysis]
  In-domain: 556 (78.87%)
  Out-of-domain: 149 (21.13%)
  Average similarity: 0.6608
  Minimum similarity: 0.1667
[Distance-based analysis]
  In-domain: 672 (95.32%)
  Out-of-domain: 33 (4.68%)
  Average distance: 0.3139
  Distance threshold: 0.6745
[Comprehensive judgment]
  In-domain: 542 (76.88%)
  Out-of-domain: 163 (23.12%)
  Method consistency: 79.57%
============================================================

gcn_leffingwell:
[Tanimoto similarity analysis]
  In-domain: 556 (78.87%)
  Out-of-domain: 149 (21.13%)
  Average similarity: 0.6608
  Minimum similarity: 0.1667
[Distance-based analysis]
  In-domain: 672 (95.32%)
  Out-of-domain: 33 (4.68%)
  Average distance: 0.3139
  Distance threshold: 0.6745
[Comprehensive judgment]
  In-domain: 542 (76.88%)
  Out-of-domain: 163 (23.12%)
  Method consistency: 79.57%
============================================================

gcn_leffingwell:
[Tanimoto similarity analysis]
  In-domain: 556 (78.87%)
  Out-of-domain: 149 (21.13%)
  Average similarity: 0.6608
  Minimum similarity: 0.1667
[Distance-based analysis]
  In-domain: 672 (95.32%)
  Out-of-domain: 33 (4.68%)
  Average distance: 0.3139
  Distance threshold: 0.6745
[Comprehensive judgment]
  In-domain: 542 (76.88%)
  Out-of-domain: 163 (23.12%)
  Method consistency: 79.57%
============================================================

nnconv_goodscent:
[Tanimoto similarity analysis]
  In-domain: 551 (79.86%)
  Out-of-domain: 139 (20.14%)
  Average similarity: 0.6897
  Minimum similarity: 0.1765
[Distance-based analysis]
  In-domain: 661 (95.80%)
  Out-of-domain: 29 (4.20%)
  Average distance: 0.2129
  Distance threshold: 0.4864
[Comprehensive judgment]
  In-domain: 536 (77.68%)
  Out-of-domain: 154 (22.32%)
  Method consistency: 79.71%
============================================================

nnconv_goodscent:
[Tanimoto similarity analysis]
  In-domain: 551 (79.86%)
  Out-of-domain: 139 (20.14%)
  Average similarity: 0.6897
  Minimum similarity: 0.1765
[Distance-based analysis]
  In-domain: 661 (95.80%)
  Out-of-domain: 29 (4.20%)
  Average distance: 0.2129
  Distance threshold: 0.4864
[Comprehensive judgment]
  In-domain: 536 (77.68%)
  Out-of-domain: 154 (22.32%)
  Method consistency: 79.71%
============================================================

nnconv_goodscent:
[Tanimoto similarity analysis]
  In-domain: 551 (79.86%)
  Out-of-domain: 139 (20.14%)
  Average similarity: 0.6897
  Minimum similarity: 0.1765
[Distance-based analysis]
  In-domain: 661 (95.80%)
  Out-of-domain: 29 (4.20%)
  Average distance: 0.2129
  Distance threshold: 0.4864
[Comprehensive judgment]
  In-domain: 536 (77.68%)
  Out-of-domain: 154 (22.32%)
  Method consistency: 79.71%
============================================================

nnconv_leffingwell:
[Tanimoto similarity analysis]
  In-domain: 556 (78.87%)
  Out-of-domain: 149 (21.13%)
  Average similarity: 0.6608
  Minimum similarity: 0.1667
[Distance-based analysis]
  In-domain: 674 (95.60%)
  Out-of-domain: 31 (4.40%)
  Average distance: 0.2631
  Distance threshold: 0.6067
[Comprehensive judgment]
  In-domain: 543 (77.02%)
  Out-of-domain: 162 (22.98%)
  Method consistency: 79.57%
============================================================

nnconv_leffingwell:
[Tanimoto similarity analysis]
  In-domain: 556 (78.87%)
  Out-of-domain: 149 (21.13%)
  Average similarity: 0.6608
  Minimum similarity: 0.1667
[Distance-based analysis]
  In-domain: 674 (95.60%)
  Out-of-domain: 31 (4.40%)
  Average distance: 0.2631
  Distance threshold: 0.6067
[Comprehensive judgment]
  In-domain: 543 (77.02%)
  Out-of-domain: 162 (22.98%)
  Method consistency: 79.57%
============================================================

nnconv_leffingwell:
[Tanimoto similarity analysis]
  In-domain: 556 (78.87%)
  Out-of-domain: 149 (21.13%)
  Average similarity: 0.6608
  Minimum similarity: 0.1667
[Distance-based analysis]
  In-domain: 674 (95.60%)
  Out-of-domain: 31 (4.40%)
  Average distance: 0.2631
  Distance threshold: 0.6067
[Comprehensive judgment]
  In-domain: 543 (77.02%)
  Out-of-domain: 162 (22.98%)
  Method consistency: 79.57%
============================================================

test_rf_A:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 8.3059
  Distance threshold: 14.7917
[Comprehensive judgment]
  In-domain: 502 (77.59%)
  Out-of-domain: 145 (22.41%)
  Method consistency: 78.67%
============================================================

test_rf_A:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 8.3059
  Distance threshold: 14.7917
[Comprehensive judgment]
  In-domain: 502 (77.59%)
  Out-of-domain: 145 (22.41%)
  Method consistency: 78.67%
============================================================

test_rf_A:
[Tanimoto similarity analysis]
  In-domain: 530 (81.92%)
  Out-of-domain: 117 (18.08%)
  Average similarity: 0.6984
  Minimum similarity: 0.2400
[Distance-based analysis]
  In-domain: 612 (94.59%)
  Out-of-domain: 35 (5.41%)
  Average distance: 8.3059
  Distance threshold: 14.7917
[Comprehensive judgment]
  In-domain: 502 (77.59%)
  Out-of-domain: 145 (22.41%)
  Method consistency: 78.67%
============================================================

【GNN models AD analysis results】
--------------------------------------------------------------------------------

gcn_goodscent:
[Tanimoto similarity analysis]
  In-domain: 551 (79.86%)
  Out-of-domain: 139 (20.14%)
  Average similarity: 0.6897
  Minimum similarity: 0.1765
[Distance-based analysis]
  In-domain: 656 (95.07%)
  Out-of-domain: 34 (4.93%)
  Average distance: 0.2545
  Distance threshold: 0.6401
[Comprehensive judgment]
  In-domain: 538 (77.97%)
  Out-of-domain: 152 (22.03%)
  Method consistency: 81.01%
============================================================

gcn_leffingwell:
[Tanimoto similarity analysis]
  In-domain: 556 (78.87%)
  Out-of-domain: 149 (21.13%)
  Average similarity: 0.6608
  Minimum similarity: 0.1667
[Distance-based analysis]
  In-domain: 672 (95.32%)
  Out-of-domain: 33 (4.68%)
  Average distance: 0.3139
  Distance threshold: 0.6745
[Comprehensive judgment]
  In-domain: 542 (76.88%)
  Out-of-domain: 163 (23.12%)
  Method consistency: 79.57%
============================================================

gat_goodscent:
[Tanimoto similarity analysis]
  In-domain: 551 (79.86%)
  Out-of-domain: 139 (20.14%)
  Average similarity: 0.6897
  Minimum similarity: 0.1765
[Distance-based analysis]
  In-domain: 654 (94.78%)
  Out-of-domain: 36 (5.22%)
  Average distance: 1.4979
  Distance threshold: 3.7467
[Comprehensive judgment]
  In-domain: 537 (77.83%)
  Out-of-domain: 153 (22.17%)
  Method consistency: 81.01%
============================================================

gat_leffingwell:
[Tanimoto similarity analysis]
  In-domain: 556 (78.87%)
  Out-of-domain: 149 (21.13%)
  Average similarity: 0.6608
  Minimum similarity: 0.1667
[Distance-based analysis]
  In-domain: 675 (95.74%)
  Out-of-domain: 30 (4.26%)
  Average distance: 1.5453
  Distance threshold: 3.2638
[Comprehensive judgment]
  In-domain: 545 (77.30%)
  Out-of-domain: 160 (22.70%)
  Method consistency: 80.00%
============================================================

nnconv_goodscent:
[Tanimoto similarity analysis]
  In-domain: 551 (79.86%)
  Out-of-domain: 139 (20.14%)
  Average similarity: 0.6897
  Minimum similarity: 0.1765
[Distance-based analysis]
  In-domain: 661 (95.80%)
  Out-of-domain: 29 (4.20%)
  Average distance: 0.2129
  Distance threshold: 0.4864
[Comprehensive judgment]
  In-domain: 536 (77.68%)
  Out-of-domain: 154 (22.32%)
  Method consistency: 79.71%
============================================================

nnconv_leffingwell:
[Tanimoto similarity analysis]
  In-domain: 556 (78.87%)
  Out-of-domain: 149 (21.13%)
  Average similarity: 0.6608
  Minimum similarity: 0.1667
[Distance-based analysis]
  In-domain: 674 (95.60%)
  Out-of-domain: 31 (4.40%)
  Average distance: 0.2631
  Distance threshold: 0.6067
[Comprehensive judgment]
  In-domain: 543 (77.02%)
  Out-of-domain: 162 (22.98%)
  Method consistency: 79.57%
============================================================
