Kotli, M.; Piir, G.; Maran, U. Predictive Modeling of Pesticides Reproductive Toxicity in Earthworms Using Interpretable Machine-Learning Techniques on Imbalanced Data. ACS Omega 2025, 10, 4732–4744.
Compound
| ID: | 3181 | |
|---|---|---|
| Name: | 2-(4-chloro-2-((cyclopropyl((3-(difluoromethyl)-5-fluoro-1-methyl-1H-pyrazol-4-yl)-carbonyl)amino)-methyl)phenyl}-propanoic acid | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C19H19ClF3N3O3/c1-9(19(28)29)13-6-3-11(20)7-10(13)8-26(12-4-5-12)18(27)14-15(16(21)22)24-25(2)17(14)23/h3,6-7,9,12,16H,4-5,8H2,1-2H3,(H,28,29) |
Properties
NOEC_class: reproductive toxicity class of No-Observed-Effect Concentration for earthworms i
| Value | Source or prediction |
|---|---|
| toxic |
experimental value |
| nontoxic |
modelA: Model A (Training (all)) |
| nontoxic |
modelB: Model B (Validation) |
NOEC: reproductive toxicity of No-Observed-Effect Concentration for earthworms as mg/kg in soil [mg/kg] i
| Value | Source or prediction |
|---|---|
| 50 |
experimental value |