10967/234 - QDB Compounds

QsarDB Repository

Garcia-Sosa, A. T.; Maran, U. Using combined docking, chemical fingerprints, and Bayesian classifiers for the androgen receptor binding activity of the CoMPARA data. Toxicological Sciences 2020.

Compound

ID:54-11-5
Name:Nicotine
Description:
Labels:training
CAS:54-11-5
InChi Code:InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.064740509

Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)