Garcia-Sosa, A. T.; Maran, U. Combined Naïve Bayesian, chemical fingerprints, and molecular docking classifiers to model and predict androgen receptor binding activity data for environmentally- and health-sensitive substances. Int. J. Mol. Sci. 2021, 22, 6695.
Compound
| ID: | 203942-49-8 | |
|---|---|---|
| Name: | UK-337312 | |
| Description: | ||
| Labels: | training | |
| CAS: | 203942-49-8 | |
| InChi Code: | InChI=1S/C33H39Cl2F6N2O/c1-42(30(44)24-17-26(32(36,37)38)20-27(18-24)33(39,40)41)21-23(22-7-8-28(34)29(35)19-22)9-13-43-14-10-31(11-15-43,12-16-43)25-5-3-2-4-6-25/h7-8,17-20,23,25H,2-6,9-16,21H2,1H3/q+1/t23-,31?,43?/m1/s1 |
Properties
BindingClass: Activity in Androgen Receptor
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0 |
Procedure_13: Multivariate Logistic Regression Model (Training set) |