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:810.T
Name:N-(2,6-difluorophenyl)-5-aminosulfonyl-1H-1,2,4-triazole-3-carboxylic acid
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H6F2N4O4S/c10-4-2-1-3-5(11)6(4)15-9(20(12,18)19)13-7(14-15)8(16)17/h1-3H,(H,16,17)(H2,12,18,19)

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)