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: | 4291-63-8 | |
|---|---|---|
| Name: | Cladribine | |
| Description: | ||
| Labels: | training | |
| CAS: | 4291-63-8 | |
| InChi Code: | InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.067464662 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |