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:1230.T
Name:2-(1-carbamoyl-1,2-dimethyl-propylcarbamoyl)-quinoline-3-carboxylic acid
Description:
Labels:
CAS:
InChi Code:InChI=1S/C17H19N3O4/c1-9(2)17(3,16(18)24)20-14(21)13-11(15(22)23)8-10-6-4-5-7-12(10)19-13/h4-9H,1-3H3,(H2,18,24)(H,20,21)(H,22,23)

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)