Modeling Regulatory Threshold Levels for Pesticides in Surface Waters from Effect Databases
Abstract
:1. Summary
2. Data Description
2.1. The Dataset
2.2. Data Quality
2.3. Case Study
3. Methods
3.1. The Databases
3.2. Collection of RTL
3.3. Model Building and Calibration
3.4. Model Validation and Join of ECOTOX and OPP Query Results
3.5. Bootstrapped Model Precision
3.6. Model Application
3.7. Case Study
4. User Notes
Supplementary Materials
Author Contributions
Funding
Conflicts of Interest
Appendix A
Filter Criteria | Description | Model |
---|---|---|
0 | Basic filter criteria, that select studies with a concentration larger than 0, convertible to ug/L, and conducted with freshwater medium. Further, a concentration must be specified, and not include “NR”, “ca”, “>”, “~”, or “x”. | Basic |
1 | The test type needs to be specified as “acute” or “not coded”. | Mid |
2 | Only acute endpoint types are selected, that describe a concentration at which an effect occurs for 50% of the tested organisms (i.e., LC50, EC50, IC50) | Mid |
3 | For animals, mortality and intoxication are allowed as effects; for plants, growth, reproduction, and population effects are selected. | Mid |
4 | The exposure duration should be one of the following: For animals: 48, 72, 96 h, 2, 3, 4 d for plants: 120 h, 5, 7, 14 d | Mid |
5 | Exclude studies with multiple measurements. | Full |
6 | Exclude studies with effect comments. | Full |
7 | The test substance purity should have a minimum of 70% active ingredient or specified as not coded not reported. | Full |
8 | Tests should be conducted with active ingredients, such that the concentration type should be the active ingredient or specified as not coded or not reported. | Full |
9 | Only laboratory studies are considered relevant. | Full |
10 | Certain formulations are excluded by name (e.g., IN-MP819, INJT333, DPX-KN125, INU8E24, INUYG24) | Full |
11 | The organism’s source should not be specified as wild or multiple. | Full |
12 | Only definitive endpoints are considered relevant. | Full |
13 | The test method must be specified. | Full |
14 | A chemical analysis must be conducted. | Full |
15 | The test should have been conducted with a proper control. | Full |
16 | Test organisms characterized with ‘> 24 h’, ‘>24 h’, or ‘Fry’ and tests conducted with the larval life stage of Macrobrachium rosenbergii are excluded. | Full |
17 | The publication year of the regulatory document needs to be older or equal to the reference year for the respective study. 1 | Full |
Filter Criteria | Description | Model |
---|---|---|
0 | Basic filter criteria, that select studies with a concentration larger than 0, convertible to ug/L, and conducted with freshwater medium. Further, a concentration must be specified, and not include “NR”, “ca”, “>”, “~”, or “x”. | Basic |
1 | Only acute endpoint types are selected, that describe a concentration at which an effect occurs for 50% of the tested organisms (i.e., LC50, EC50, IC50) | Mid |
2 | The exposure duration should be one of the following: For animals: 48, 72, 96 h for plants: Lower or equal to 336 h | Mid |
3 | Studies should be rated as supplemental or core. | Mid |
4 | Only definitive endpoints are considered relevant. | Mid |
5 | Certain formulations, or metabolites are excluded by name (e.g., IN-MP819, INJT333, DPX-KN125, weed killer, product, formulation, metabolite) | Full |
6 | The guideline should not be specified as NG (no guideline) | Full |
7 | The test substance purity should have a minimum of 70% active ingredient. | Full |
8 | The publication year of the regulatory document needs to be older or equal to the reference year for the respective study. 1 | Full |
Appendix B. Evaluation of Aquatic Life Benchmarks (ALB)
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Column | Explanation |
---|---|
CAS Number | Chemical abstract service identifier |
RTLe | Estimated regulatory threshold level [ug/L] |
Database | Source of the presented RTLe, i.e., ECOTOX database, OPP database |
Classification | Fung = fungicides, Herb = herbicides, Ins = insecticides, Other = other category according to MAGIC graph [36] classification, Unclassified = no classification |
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Share and Cite
Petschick, L.L.; Bub, S.; Wolfram, J.; Stehle, S.; Schulz, R. Modeling Regulatory Threshold Levels for Pesticides in Surface Waters from Effect Databases. Data 2019, 4, 150. https://doi.org/10.3390/data4040150
Petschick LL, Bub S, Wolfram J, Stehle S, Schulz R. Modeling Regulatory Threshold Levels for Pesticides in Surface Waters from Effect Databases. Data. 2019; 4(4):150. https://doi.org/10.3390/data4040150
Chicago/Turabian StylePetschick, Lara L., Sascha Bub, Jakob Wolfram, Sebastian Stehle, and Ralf Schulz. 2019. "Modeling Regulatory Threshold Levels for Pesticides in Surface Waters from Effect Databases" Data 4, no. 4: 150. https://doi.org/10.3390/data4040150