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:1057.T
Name:N-[2-Chloro-4-(trifluoromethyl)phenyl]valine
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H13ClF3NO2/c1-6(2)10(11(18)19)17-9-4-3-7(5-8(9)13)12(14,15)16/h3-6,10,17H,1-2H3,(H,18,19)/t10-/m0/s1

Properties

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

ValueSource or prediction
toxic

experimental value

toxic

rf: Random Forest (toxicity_class.train)

toxic

rf: Random Forest (toxicity_class.oob)