10967/235 - QDB Compounds

QsarDB Repository

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:53910-25-1
Name:Pentostatin
Description:
Labels:eval
CAS:53910-25-1
InChi Code:InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
0

experimental value

0

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)