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: | 177785-47-6 | |
|---|---|---|
| Name: | PharmaGSID_47261 | |
| Description: | ||
| Labels: | training | |
| CAS: | 177785-47-6 | |
| InChi Code: | InChI=1S/C13H15NO3S/c1-3-8(2)11(13(16)17)14-12(15)9-6-4-5-7-10(9)18-14/h4-8,11H,3H2,1-2H3,(H,16,17)/t8-,11-/m0/s1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.188441703 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |