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:1052.T
Name:4-(8-hydroxy-6-oxo-5-oxaspiro[3.4]oct-7-en-7-yl)-3,5-dimethylbenzoic acid
Description:
Labels:
CAS:
InChi Code:InChI=1S/C16H16O5/c1-8-6-10(14(18)19)7-9(2)11(8)12-13(17)16(4-3-5-16)21-15(12)20/h6-7,17H,3-5H2,1-2H3,(H,18,19)

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)