10967/263 - QDB Compounds

QsarDB Repository

Kotli, M.; Piir, G.; Maran, U. Data-driven machine learning of chronic toxicity of imbalanced heterogeneous pesticide data to earthworms.

Compound

ID:994
Name:2-chloro-5((E)-((2RS)-2-hydroxy-3,3-dimethyl-2-(1H-1,2,4-triazole-1-ylmethyl)cyclopentylidenc)methyl)phenol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C17H20ClN3O2/c1-16(2)6-5-13(7-12-3-4-14(18)15(22)8-12)17(16,23)9-21-11-19-10-20-21/h3-5,8,10-11,22-23H,6-7,9H2,1-2H3/t17-/m0/s1

Properties

NOEC_class: chronic toxicity class of No-Observed-Effect Concentration for earthworms i

ValueSource or prediction
nontoxic

experimental value

nontoxic

modelA: Model A (Validation)

nontoxic

modelB: Model B (Training (under sampled))

nontoxic

modelB: Model B (Training (all))

NOEC: chronic toxicity of No-Observed-Effect Concentration for earthworms as mg/kg in soil [mg/kg] i

ValueSource or prediction
125

experimental value