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:512
Name:Penoxsulam
Description:
Labels:
CAS:219714-96-2
InChi Code:InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)

Properties

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

ValueSource or prediction
nontoxic

experimental value

nontoxic

modelA: Model A (Training (under sampled))

nontoxic

modelA: Model A (Training (all))

nontoxic

modelB: Model B (Training (under sampled))

nontoxic

modelB: Model B (Training (all))

nontoxic

model_AB: model_AB (Training (under sampled))

nontoxic

model_AB: model_AB (Training (all))

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

ValueSource or prediction
> 115.5

experimental value