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:992
Name:(1R,3R,E)-3-(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/c1-11-12(2)17(23,8-21-10-19-9-20-21)15(16(11)22)7-13-3-5-14(18)6-4-13/h3-7,9-12,16,22-23H,8H2,1-2H3/b15-7+/t11-,12-,16+,17-/m1/s1

Properties

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

ValueSource or prediction
toxic

experimental value

nontoxic

modelA: Model A (Validation)

toxic

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
5

experimental value