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:1049.T
Name:3-(2,4-dichlorophenyl)-3,4-dihydroxy-1-oxaspiro(4.5)decan-2-one
Description:
Labels:
CAS:
InChi Code:InChI=1S/C15H16Cl2O4/c16-9-4-5-10(11(17)8-9)15(20)12(18)14(21-13(15)19)6-2-1-3-7-14/h4-5,8,12,18,20H,1-3,6-7H2

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)