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: | 138844-81-2 | |
|---|---|---|
| Name: | Ibandronate sodium | |
| Description: | ||
| Labels: | eval | |
| CAS: | 138844-81-2 | |
| InChi Code: | InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.008963722 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |