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: | 184653-84-7 | |
|---|---|---|
| Name: | Carabersat | |
| Description: | ||
| Labels: | training | |
| CAS: | 184653-84-7 | |
| InChi Code: | InChI=1S/C20H20FNO4/c1-11(23)13-6-9-16-15(10-13)17(18(24)20(2,3)26-16)22-19(25)12-4-7-14(21)8-5-12/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18+/m0/s1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.358241112 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |