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: | 94497-51-5 | |
|---|---|---|
| Name: | Tamibarotene | |
| Description: | ||
| Labels: | eval | |
| CAS: | 94497-51-5 | |
| InChi Code: | InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.195822772 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |