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: | 53-36-1 | |
|---|---|---|
| Name: | Methylprednisolone acetate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 53-36-1 | |
| InChi Code: | InChI=1S/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.116605575 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |