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:1144
Name:Spinetoram
Description:
Labels:
CAS:935545-74-7
InChi Code:InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-30,32-35,37,39-42H,10-20,22H2,1-9H3

Properties

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

ValueSource or prediction
9.33

experimental value