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: | 119413-54-6 | |
|---|---|---|
| Name: | Topotecan hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 119413-54-6 | |
| InChi Code: | InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.363934885 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |