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: | 993 | |
|---|---|---|
| Name: | (E)-2-(4-chlorobenzylidene)-5,5-dimethyl-1-((1H)-1,2,4-triazol-1-ylmethyl)-cyclopentan-1,3-diol | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C17H20ClN3O2/c1-16(2)8-15(22)14(7-12-3-5-13(18)6-4-12)17(16,23)9-21-11-19-10-20-21/h3-7,10-11,15,22-23H,8-9H2,1-2H3/b14-7+ |
Properties
NOEC_class: reproductive toxicity class of No-Observed-Effect Concentration for earthworms i
| Value | Source or prediction |
|---|---|
| nontoxic |
experimental value |
| nontoxic |
modelA: Model A (Training (under sampled)) |
| nontoxic |
modelA: Model A (Training (all)) |
| nontoxic |
modelB: Model B (Training (under sampled)) |
| nontoxic |
modelB: Model B (Training (all)) |
| nontoxic |
model_AB: model_AB (Training (under sampled)) |
| 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 |
|---|---|
| 250 |
experimental value |