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: | 32222-06-3 | |
|---|---|---|
| Name: | Calcitriol | |
| Description: | ||
| Labels: | eval | |
| CAS: | 32222-06-3 | |
| InChi Code: | InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.059938938 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |