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:1051.T
Name:4-hydroxy-3-mesityl-1-oxaspiro(4.4)non-3-en-2-one
Description:
Labels:
CAS:
InChi Code:InChI=1S/C17H20O3/c1-10-8-11(2)13(12(3)9-10)14-15(18)17(20-16(14)19)6-4-5-7-17/h8-9,18H,4-7H2,1-3H3

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)