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: | 1338-43-8 | |
|---|---|---|
| Name: | Sorbitan, mono-(9Z)-9-octadecenoate | |
| Description: | ||
| Labels: | training | |
| CAS: | 1338-43-8 | |
| InChi Code: | InChI=1S/C24H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h9-10,20-21,23-26,28H,2-8,11-19H2,1H3/b10-9-/t20-,21+,23+,24+/m0/s1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.031146629 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |