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: | 7279-75-6 | |
|---|---|---|
| Name: | Isoetharine mesylate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 7279-75-6 | |
| InChi Code: | InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.159338547 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |