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:1260.T
Name:5-((3-chloro-5-(trifluoromethyl)-2-pyridyl)amino)-alpha,alpha,alpha-trifluoro-4,6-dinitro-o-cresol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C13H5ClF6N4O5/c14-6-1-4(12(15,16)17)3-21-11(6)22-8-7(23(26)27)2-5(13(18,19)20)10(25)9(8)24(28)29/h1-3,25H,(H,21,22)

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)