10967/263 - QDB Compounds

QsarDB Repository

Kotli, M.; Piir, G.; Maran, U. Data-driven machine learning of chronic toxicity of imbalanced heterogeneous pesticide data to earthworms.

Compound

ID:985
Name:N-((N-carbamoylcarbamimidoyl)carbamoyl)-2-chlorobenzenesulfonamide
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H10ClN5O4S/c10-5-3-1-2-4-6(5)20(18,19)15-9(17)14-7(11)13-8(12)16/h1-4H,(H6,11,12,13,14,15,16,17)

Properties

NOEC_class: chronic toxicity class of No-Observed-Effect Concentration for earthworms i

ValueSource or prediction
nontoxic

experimental value

toxic

modelA: Model A (Validation)

nontoxic

modelB: Model B (Training (under sampled))

nontoxic

modelB: Model B (Training (all))

NOEC: chronic toxicity of No-Observed-Effect Concentration for earthworms as mg/kg in soil [mg/kg] i

ValueSource or prediction
500

experimental value