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: | 905-97-5 | |
|---|---|---|
| Name: | 3,3'-Diethylthiacarbocyanine iodide | |
| Description: | ||
| Labels: | eval | |
| CAS: | 905-97-5 | |
| InChi Code: | InChI=1S/C21H21N2S2/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21/h5-15H,3-4H2,1-2H3/q+1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.107348563 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |