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: | 69004-04-2 | |
|---|---|---|
| Name: | Toltrazuril sulfone | |
| Description: | ||
| Labels: | eval | |
| CAS: | 69004-04-2 | |
| InChi Code: | InChI=1S/C18H14F3N3O6S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)30-12-4-6-13(7-5-12)31(28,29)18(19,20)21/h3-9H,1-2H3,(H,22,25,26) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.169546746 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |