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: | 75662-22-5 | |
|---|---|---|
| Name: | 2-Propenoic acid, 2-methyl-, 2-[(3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-yl)oxy]ethyl ester | |
| Description: | ||
| Labels: | eval | |
| CAS: | 75662-22-5 | |
| InChi Code: | InChI=1S/C16H22O3/c1-10(2)16(17)19-7-6-18-15-9-11-8-14(15)13-5-3-4-12(11)13/h3,5,11-15H,1,4,6-9H2,2H3 |
Properties
BindingClass: Activity in Androgen Receptor
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0 |
Procedure_13: Multivariate Logistic Regression Model (Evaluation set) |