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: | 65-29-2 | |
|---|---|---|
| Name: | Gallamine triethiodide | |
| Description: | ||
| Labels: | eval | |
| CAS: | 65-29-2 | |
| InChi Code: | InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.103718009 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |