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: | 552-22-7 | |
|---|---|---|
| Name: | Thymol iodide | |
| Description: | ||
| Labels: | eval | |
| CAS: | 552-22-7 | |
| InChi Code: | InChI=1S/C20H24I2O2/c1-11(2)15-9-17(13(5)7-19(15)23-21)18-10-16(12(3)4)20(24-22)8-14(18)6/h7-12H,1-6H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.063020434 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |