10967/258 - QDB Compounds

QsarDB Repository

Kotli, M.; Piir, G.; Maran, U. Pesticide effect on earthworm lethality via interpretable machine learning. J. Hazard Mater. 2023, 461, 132577

Compound

ID:993.T
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

toxicity_class: Acute toxicity to earthworm [mg/kg] i

ValueSource or prediction
nontoxic

experimental value

nontoxic

rf: Random Forest (toxicity_class.train)

nontoxic

rf: Random Forest (toxicity_class.oob)