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: | 2493 | |
|---|---|---|
| Name: | 2-(3-bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazol-5-yl)-6-chloro-3, 8dimethyl-4(3H)-quinazolinone | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C18H12BrCl2N5O/c1-9-6-10(20)7-11-15(9)23-17(25(2)18(11)27)13-8-14(19)24-26(13)16-12(21)4-3-5-22-16/h3-8H,1-2H3 |
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 (Validation) |
NOEC: reproductive toxicity of No-Observed-Effect Concentration for earthworms as mg/kg in soil [mg/kg] i
| Value | Source or prediction |
|---|---|
| 1000 |
experimental value |