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: | 122-20-3 | |
|---|---|---|
| Name: | Triisopropanolamine | |
| Description: | ||
| Labels: | training | |
| CAS: | 122-20-3 | |
| InChi Code: | InChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.003066179 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |