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: | 532-40-1 | |
|---|---|---|
| Name: | Monophosphothiamine | |
| Description: | ||
| Labels: | eval | |
| CAS: | 532-40-1 | |
| InChi Code: | InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.032360493 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |