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: | 91421-42-0 | |
|---|---|---|
| Name: | Rubitecan | |
| Description: | ||
| Labels: | eval | |
| CAS: | 91421-42-0 | |
| InChi Code: | InChI=1S/C20H15N3O6/c1-2-20(26)13-7-16-17-10(8-22(16)18(24)12(13)9-29-19(20)25)6-11-14(21-17)4-3-5-15(11)23(27)28/h3-7,26H,2,8-9H2,1H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.392823561 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |