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:1267.T
Name:3-(2,4,6-trimethylphenyl)pentanedioic acid
Description:
Labels:
CAS:
InChi Code:InChI=1S/C14H18O4/c1-8-4-9(2)14(10(3)5-8)11(6-12(15)16)7-13(17)18/h4-5,11H,6-7H2,1-3H3,(H,15,16)(H,17,18)

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)