Geographical Classification of Tannat Wines Based on Support Vector Machines and Feature Selection
Abstract
:1. Introduction
2. Materials and Methods
2.1. Wine Samples
2.2. Chemical Compounds Determination
2.3. Color Determination
2.4. Total Polyphenols
2.5. Total Monomeric Anthocyanins
2.6. Individual Anthocyanins
2.6.1. HPLC–DAD
2.6.2. HPLC–DAD–MS
2.7. Antioxidant Activity
2.7.1. Free Radical Scavenging Capacity (DPPH)
2.7.2. Oxygen Radical Absorbance Capacity (ORAC)
2.8. Data Mining
2.9. Support Vector Machines
2.10. Variable Selection
2.11. Performance Analysis
3. Results and Discussion
3.1. Classification Analysis
3.2. Analysis of Variable Importance
4. Conclusions
Author Contributions
Funding
Conflicts of Interest
References
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Reference | Prediction | |
---|---|---|
Positive | Negative | |
Positive | TP | FN |
Negative | FP | TN |
Variable | Brazil (n = 28) | Uruguay (n = 28) |
---|---|---|
L * | 16.02 ± 5.91 (3.84–31.02) | 17.48 ± 6.25 (4.7–32.43) |
a * | 45.47 ± 6.74 (25.7–54.17) | 47.24 ± 5.84 (29.43–54.51) |
b * | 26.35 ± 8.63 (6.37–42.87) | 28.95 ± 9.59 (7.61–48.6) |
TPI | 1924.45 ± 352.61 (1365.36–2999.55) | 1973.45 ± 454.56 (1015.98–2946.75) |
TA | 143.41 ± 35.32 (95.35–233.45) | 117.02 ± 52.93 (28.72–289.56) |
ORAC | 39,623.59 ± 6942.55 (25,423.23–56,914.9) | 44,431.93 ± 9938.45 (26,883.63–69,192.46) |
DPPH | 8.88 ± 0.58 (7.55–9.82) | 9.56 ± 0.67 (7.12–10.34) |
cyan-3-glu | 0.22 ± 0.12 (0.1–0.62) | 0.18 ± 0.07 (0.07–0.36) |
delph-3-acetylglu | 1.15 ± 0.81 (0.48–3.61) | 0.98 ± 0.7 (0.33–3.83) |
delph-3-glu | 6.19 ± 2.71 (2.17–11.38) | 3.65 ± 2.63 (0.29–11.4) |
malv-3-(coum)glu | 6.36 ± 2.89 (2.97–11.84) | 5.04 ± 3.53 (0.41–14.18) |
malv-3-acetylglu | 13.05 ± 5.69 (4.55–27.78) | 11.01 ± 7.35 (1.04–30.79) |
malv-3-glu | 42.58 ± 22.03 (26.03–95.19) | 36.89 ± 22.79 (3.86–89.98) |
peon-3-(coum)glu | 1.48 ± 1.98 (0.57–4.71) | 1.76 ± 2.07 (0.27–11.11) |
peon-3-acetylglu | 1.57 ± 0.74 (0.89–3.25) | 1.41 ± 0.61 (0.51–2.9) |
peon-3-glu | 4.27 ± 2.12 (1.61–9.99) | 2.11 ± 1.46 (0.4–5.72) |
pet-3-(coum)glu | 0.45 ± 0.56 (0.1–2.14) | 0.28 ± 0.29 (0.1–1.64) |
pet-3-acetylglu | 2.43 ± 2.02 (1.04–8.63) | 1.57 ± 1.74 (0–9.1) |
pet-3-glu | 11.02 ± 3.97 (4.98–22.14) | 7.16 ± 5.21 (0.46–24.52) |
vitisin A | 14.37 ± 5.2 (5.37–22.25) | 11.32 ± 8.89 (1.95–43.75) |
# | Compounds | Acc | MCC | Sens | Spec |
---|---|---|---|---|---|
#1 | peon-3-glu | 91.07 | 0.82 | 89.66 | 92.59 |
#2 | peon-3-glu, DPPH | 94.64 | 0.90 | 90.32 | 100 |
#3 | peon-3-glu, DPPH, delph-3-glu | 85.71 | 0.71 | 85.71 | 85.71 |
#4 | peon-3-glu, DPPH, delph-3-glu, pet-3-glu | 92.86 | 0.86 | 90.00 | 96.15 |
#5 | peon-3-glu, DPPH, delph-3-glu, pet-3-glu, TA | 91.07 | 0.82 | 89.66 | 92.59 |
#6 | peon-3-glu, DPPH, delph-3-glu, pet-3-glu, TA, ORAC | 94.64 | 0.90 | 90.32 | 100 |
#7 | peon-3-glu, DPPH, delph-3-glu, pet-3-glu, TA, ORAC, pet-3-acetylglu | 91.07 | 0.83 | 87.10 | 96.00 |
#8 | peon-3-glu, DPPH, delph-3-glu, pet-3-glu, TA, ORAC, pet-3-acetylglu, vitisin A | 94.64 | 0.90 | 90.32 | 100 |
#9 | peon-3-glu, DPPH, delph-3-glu, pet-3-glu, TA, ORAC, pet-3-acetylglu, vitisin A, cyan-3-glu | 91.07 | 0.83 | 87.10 | 96.00 |
#10 | peon-3-glu, DPPH, delph-3-glu, pet-3-glu, TA, ORAC, pet-3-acetylglu, vitisin A, cyan-3-glu, malv-3-(coum)glu | 91.07 | 0.83 | 87.10 | 96.00 |
#11 | peon-3-glu, DPPH, delph-3-glu, pet-3-glu, TA, ORAC, pet-3-acetylglu, vitisin A, cyan-3-glu, malv-3-(coum)glu, pet-3-(coum)glu | 85.71 | 0.72 | 83.33 | 88.46 |
#12 | peon-3-glu, DPPH, delph-3-glu, pet-3-glu, TA, ORAC, pet-3-acetylglu, vitisin A, cyan-3-glu, malv-3-(coum)glu, pet-3-(coum)glu, malv-3-acetylglu | 92.86 | 0.87 | 87.50 | 100 |
#13 | peon-3-glu, DPPH, delph-3-glu, pet-3-glu, TA, ORAC, pet-3-acetylglu, vitisin A, cyan-3-glu, malv-3-(coum)glu, pet-3-(coum)glu, malv-3-acetylglu, b * | 89.29 | 0.79 | 86.67 | 92.31 |
#14 | peon-3-glu, DPPH, delph-3-glu, pet-3-glu, TA, ORAC, pet-3-acetylglu, vitisin A, cyan-3-glu, malv-3-(coum)glu, pet-3-(coum)glu, malv-3-acetylglu, b *, a * | 91.07 | 0.83 | 87.10 | 96.00 |
#15 | peon-3-glu, DPPH, delph-3-glu, pet-3-glu, TA, ORAC, pet-3-acetylglu, vitisin A, cyan-3-glu, malv-3-(coum)glu, pet-3-(coum)glu, malv-3-acetylglu, b *, a *, malv-3-glu | 89.29 | 0.79 | 86.67 | 92.31 |
#16 | peon-3-glu, DPPH, delph-3-glu, pet-3-glu, TA, ORAC, pet-3-acetylglu, vitisin A, cyan-3-glu, malv-3-(coum)glu, pet-3-(coum)glu, malv-3-acetylglu, b *, a *, malv-3-glu, L * | 92.86 | 0.87 | 87.50 | 100 |
#17 | peon-3-glu, DPPH, delph-3-glu, pet-3-glu, TA, ORAC, pet-3-acetylglu, vitisin A, cyan-3-glu, malv-3-(coum)glu, pet-3-(coum)glu, malv-3-acetylglu, b *, a *, malv-3-glu, L *, peon-3-acetylglu | 91.07 | 0.83 | 87.10 | 96.00 |
#18 | peon-3-glu, DPPH, delph-3-glu, pet-3-glu, TA, ORAC pet-3-acetylglu, vitisin A, cyan-3-glu, malv-3-(coum)glu, pet-3-(coum)glu, malv-3-acetylglu, b *, a *, malv-3-glu, L *, peon-3-acetylglu, delph-3-acetylglu | 91.07 | 0.83 | 87.10 | 96.00 |
#19 | peon-3-glu, DPPH, delph-3-glu, pet-3-glu, TA, ORAC, pet-3-acetylglu, vitisin A, cyan-3-glu, malv-3-(coum)glu, pet-3-(coum)glu, malv-3-acetylglu, b *, a *, malv-3-glu, L *, peon-3-acetylglu, delph-3-acetylglu, peon-3-(coum)glu | 92.86 | 0.87 | 87.50 | 100 |
#20 | peon-3-glu, DPPH, delph-3-glu, pet-3-glu, TA, ORAC, pet-3-acetylglu, vitisin A, cyan-3-glu, malv-3-(coum)glu, pet-3-(coum)glu, malv-3-acetylglu, b *, a *, malv-3-glu, L *, peon-3-acetylglu, delph-3-acetylglu, peon-3-(coum)glu, TPI | 92.86 | 0.87 | 87.50 | 100 |
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Costa, N.L.; Llobodanin, L.A.G.; Castro, I.A.; Barbosa, R. Geographical Classification of Tannat Wines Based on Support Vector Machines and Feature Selection. Beverages 2018, 4, 97. https://doi.org/10.3390/beverages4040097
Costa NL, Llobodanin LAG, Castro IA, Barbosa R. Geographical Classification of Tannat Wines Based on Support Vector Machines and Feature Selection. Beverages. 2018; 4(4):97. https://doi.org/10.3390/beverages4040097
Chicago/Turabian StyleCosta, Nattane Luíza, Laura Andrea García Llobodanin, Inar Alves Castro, and Rommel Barbosa. 2018. "Geographical Classification of Tannat Wines Based on Support Vector Machines and Feature Selection" Beverages 4, no. 4: 97. https://doi.org/10.3390/beverages4040097