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: | 647-42-7 | |
|---|---|---|
| Name: | 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol | |
| Description: | ||
| Labels: | training | |
| CAS: | 647-42-7 | |
| InChi Code: | InChI=1S/C8H5F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.009357485 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |