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:118-56-9
Name:3,3,5-Trimethylcyclohexyl salicylate
Description:
Labels:training
CAS:118-56-9
InChi Code:InChI=1S/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
0

experimental value

1

Procedure_13: Multivariate Logistic Regression Model (Training set)