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: | 3753-81-9 | |
|---|---|---|
| Name: | 1,3-Bis(4-carboxyphenoxy)propane | |
| Description: | ||
| Labels: | eval | |
| CAS: | 3753-81-9 | |
| InChi Code: | InChI=1S/C17H16O6/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11H2,(H,18,19)(H,20,21) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.106380991 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |