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: | 87818-31-3 | |
|---|---|---|
| Name: | Cinmethylin | |
| Description: | ||
| Labels: | training | |
| CAS: | 87818-31-3 | |
| InChi Code: | InChI=1S/C18H26O2/c1-13(2)18-10-9-17(4,20-18)16(11-18)19-12-15-8-6-5-7-14(15)3/h5-8,13,16H,9-12H2,1-4H3/t16-,17+,18-/m1/s1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.324517918 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |