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: | 111-01-3 | |
|---|---|---|
| Name: | Squalane | |
| Description: | ||
| Labels: | eval | |
| CAS: | 111-01-3 | |
| InChi Code: | InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.004220765 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |