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: | 5153-25-3 | |
|---|---|---|
| Name: | 2-Ethylhexylparaben | |
| Description: | ||
| Labels: | training | |
| CAS: | 5153-25-3 | |
| InChi Code: | InChI=1S/C15H22O3/c1-3-5-6-12(4-2)11-18-15(17)13-7-9-14(16)10-8-13/h7-10,12,16H,3-6,11H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.117200249 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |