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:74135-10-7
Name:Sucrose octasulfate, sodium salt
Description:
Labels:eval
CAS:74135-10-7
InChi Code:InChI=1S/C12H22O27S8/c13-40(14)29-1-4-6(35-43(19)20)8(37-45(23)24)9(38-46(25)26)11(32-4)34-12(3-31-42(17)18)10(39-47(27)28)7(36-44(21)22)5(33-12)2-30-41(15)16/h4-11H,1-3H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28)

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
0

experimental value

0

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)