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:2148.T
Name:3-(difluoromethyl)-1H-pyrazole-4-carboxylic acid
Description:
Labels:
CAS:
InChi Code:InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)

Properties

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

ValueSource or prediction
nontoxic

experimental value

nontoxic

rf: Random Forest (toxicity_class.train)

toxic

rf: Random Forest (toxicity_class.oob)