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:994.T
Name:5-{[(1E,2R)-2-hydroxy-3,3-dimethyl-2-[(1H-1,2,4-triazol-1-yl)methyl]cyclopentylidene]methyl}-2-methylphenol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C18H23N3O2/c1-13-4-5-14(9-16(13)22)8-15-6-7-17(2,3)18(15,23)10-21-12-19-11-20-21/h4-5,8-9,11-12,22-23H,6-7,10H2,1-3H3/b15-8+/t18-/m0/s1

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)