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: | 58546-54-6 | |
|---|---|---|
| Name: | Gomisin A | |
| Description: | ||
| Labels: | eval | |
| CAS: | 58546-54-6 | |
| InChi Code: | InChI=1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.174081852 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |