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: | 3021 | |
|---|---|---|
| Name: | 2-methyl-3,5-dinitro-4-(pentan-3ylamino)benzoic acid | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C13H17N3O6/c1-4-8(5-2)14-11-10(15(19)20)6-9(13(17)18)7(3)12(11)16(21)22/h6,8,14H,4-5H2,1-3H3,(H,17,18) |
Properties
NOEC_class: reproductive toxicity class of No-Observed-Effect Concentration for earthworms i
| Value | Source or prediction |
|---|---|
| toxic |
experimental value |
| toxic |
modelA: Model A (Training (under sampled)) |
| toxic |
modelA: Model A (Training (all)) |
| toxic |
modelB: Model B (Training (all)) |
| toxic |
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 |
|---|---|
| 32 |
experimental value |