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: | 2693 | |
|---|---|---|
| Name: | 4-(((3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl)carbonyl)amino)-N3,5-dimethylisophthalamide | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C19H16BrClN6O3/c1-9-6-10(16(22)28)7-11(18(29)23-2)15(9)25-19(30)13-8-14(20)26-27(13)17-12(21)4-3-5-24-17/h3-8H,1-2H3,(H2,22,28)(H,23,29)(H,25,30) |
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 (Training (all)) |
| nontoxic |
model_AB: model_AB (Training (all)) |
NOEC: reproductive toxicity of No-Observed-Effect Concentration for earthworms as mg/kg in soil [mg/kg] i
| Value | Source or prediction |
|---|---|
| 12 |
experimental value |