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: | 81-88-9 | |
|---|---|---|
| Name: | Rhodamine B | |
| Description: | ||
| Labels: | training | |
| CAS: | 81-88-9 | |
| InChi Code: | InChI=1S/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32/h9-18H,5-8H2,1-4H3/p+1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.246497183 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |