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:992.T
Name:(1R,2E,3S,4R,5R)-2-[(4-chlorophenyl)methylidene]-4,5-dimethyl-1-[(1H-1,2,4-triazol-1-yl)methyl]cyclopentane-1,3-diol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C17H20ClN3O2/c1-11-12(2)17(23,8-21-10-19-9-20-21)15(16(11)22)7-13-3-5-14(18)6-4-13/h3-7,9-12,16,22-23H,8H2,1-2H3/b15-7+/t11-,12-,16+,17-/m1/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)