REPOSITORY QDB RESOURCES NEWS CONTACTS

Thakur, A. QSAR study on benzenesulfonamide ionization constant: physicochemical approach using surface tension. ARKIVOC 2005, 2005, 49-58.

QsarDB Repository

Thakur, A. QSAR study on benzenesulfonamide ionization constant: physicochemical approach using surface tension. ARKIVOC 2005, 2005, 49-58.

QDB archive DOI: 10.15152/QDB.147   DOWNLOAD

QsarDB content

Property pKa: Acid dissociation constant as log(1/Ka)

Compounds: 21 | Models: 1 | Predictions: 2

Eq9: Model for benzenesulfonamides

Regression model (regression)

Open in:QDB Explorer QDB Predictor

Name Type n

R2

σ

Training set training 20 0.893 0.307
Outlier external validation 1 N/A 0.000

Citing

When using this data, please cite the original article and this QDB archive:

Metadata

Show full item record

Title: Thakur, A. QSAR study on benzenesulfonamide ionization constant: physicochemical approach using surface tension. ARKIVOC 2005, 2005, 49-58.
Abstract: QSAR study on benzenesulfonamide dissociation constant pKa has been made using the physicochemical parameter surface tension (ST). The regression analysis has shown that even in mono-parametric regression this physicochemical parameter gave significant results. Furthermore, using the combination of the surface tension (ST) with the refractive index (eta) and indicator parameter, remarkable improvement in the statistics has been observed. The results are discussed critically on the basis of regression data and cross-validation parameters.
URI: http://hdl.handle.net/10967/147
http://dx.doi.org/10.15152/QDB.147
Date: 2015-04-01


Files in this item

Name Description Format Size View
2005ARKIVOC49.qdb.zip pKa model for benzenesulfonamides application/x-zip 6.126Kb View/Open
Files associated with this item are distributed
under Creative Commons license.

This item appears in the following Collection(s)

Show full item record