10967/263 - QDB Compounds

QsarDB Repository

Kotli, M.; Piir, G.; Maran, U. Predictive Modeling of Pesticides Reproductive Toxicity in Earthworms Using Interpretable Machine-Learning Techniques on Imbalanced Data. ACS Omega 2025, 10, 4732–4744.

Compound

ID:1249
Name:T-sulfinylacetic acid
Description:
Labels:
CAS:
InChi Code:InChI=1S/C16H23NO5S/c1-4-13-8-6-7-12(3)16(13)17(11-22-5-2)14(18)9-23(21)10-15(19)20/h6-8H,4-5,9-11H2,1-3H3,(H,19,20)

Properties

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

ValueSource or prediction
toxic

experimental value

toxic

modelA: Model A (Training (all))

toxic

modelB: Model B (Training (under sampled))

toxic

modelB: Model B (Training (all))

toxic

model_AB: model_AB (Training (all))

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

ValueSource or prediction
3.44

experimental value