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:1528.T
Name:6-hydroxy-4-trifluoromethylnicotinic acid
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H4F3NO3/c8-7(9,10)4-1-5(12)11-2-3(4)6(13)14/h1-2H,(H,11,12)(H,13,14)

Properties

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

ValueSource or prediction
toxic

experimental value

toxic

rf: Random Forest (toxicity_class.train)

nontoxic

rf: Random Forest (toxicity_class.oob)