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:97683-31-3
Name:Egualen sodium
Description:
Labels:eval
CAS:97683-31-3
InChi Code:InChI=1S/C15H18O3S/c1-4-11-9-15(19(16,17)18)14-8-12(10(2)3)6-5-7-13(11)14/h5-10H,4H2,1-3H3,(H,16,17,18)

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
0

experimental value
0

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)