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: | 77-90-7 | |
|---|---|---|
| Name: | Acetyl tributyl citrate | |
| Description: | ||
| Labels: | training | |
| CAS: | 77-90-7 | |
| InChi Code: | InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.007977323 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |