10967/235 - QDB Compounds

QsarDB Repository

Garcia-Sosa, A. T.; Maran, U. Combined Naïve Bayesian, chemical fingerprints, and molecular docking classifiers to model and predict androgen receptor binding activity data for environmentally- and health-sensitive substances. Int. J. Mol. Sci. 2021, 22, 6695.

Compound

ID:NOCAS_47299
Name:CP-422935
Description:
Labels:training
CAS:
InChi Code:InChI=1S/C25H34N2O/c1-3-28-24-11-7-8-22(20-24)25(14-12-21(2)13-15-25)27-18-16-26(17-19-27)23-9-5-4-6-10-23/h4-11,20-21H,3,12-19H2,1-2H3/t21-,25+

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
0

experimental value

0

Procedure_13: Multivariate Logistic Regression Model (Training set)