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Qualitative validation parameters for the training and test sets for LDA model
| Set | No. of compounds | Sensitivity | Specificity | Accuracy | Precision | F-measure | G-means | MCC | Cohen’s κ |
|---|---|---|---|---|---|---|---|---|---|
| Training | 33 | 0.824 | 0.875 | 0.848 | 0.875 | 0.848 | 0.849 | 0.699 | 0.697 |
| Test | 11 | 0.60 | 1 | 0.818 | 1 | 0.750 | 0.775 | 0.671 | 0.621 |
