10967/258 - QDB Compounds

QsarDB Repository

Kotli, M.; Piir, G.; Maran, U. Pesticide effect on earthworm lethality via interpretable machine learning. Journal of Hazardous Materials 2023

Compound

ID:1060.T
Name:3-hydroxymethyl-7-chloro-quinoline-8-carboxylic acid
Description:
Labels:
CAS:
InChi Code:InChI=1S/C11H8ClNO3/c12-8-2-1-7-3-6(5-14)4-13-10(7)9(8)11(15)16/h1-4,14H,5H2,(H,15,16)

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)