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: | 471-53-4 | |
|---|---|---|
| Name: | Glycyrrhetinic acid | |
| Description: | ||
| Labels: | eval | |
| CAS: | 471-53-4 | |
| InChi Code: | InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.081665246 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |