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

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)

21 Compounds

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 QDB archive, please cite (see details) it together with the original article:

Piir, G. Data for: QSAR study on benzenesulfonamide ionization constant: physicochemical approach using surface tension. QsarDB repository, QDB.147. 2015. http://dx.doi.org/10.15152/QDB.147
Thakur, A. QSAR study on benzenesulfonamide ionization constant: physicochemical approach using surface tension. ARKIVOC 2005, 2005, 49-58. http://dx.doi.org/10.3998/ark.5550190.0006.e06

Metadata

Show simple item record

dc.date.accessioned	2015-04-01T06:57:33Z
dc.date.available	2015-04-01T06:57:33Z
dc.date.issued	2015-04-01	*
dc.identifier.uri	http://hdl.handle.net/10967/147
dc.identifier.uri	http://dx.doi.org/10.15152/QDB.147
dc.description.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.
dc.publisher	Geven Piir
dc.rights	Attribution 4.0 International
dc.rights.uri	http://creativecommons.org/licenses/by/4.0/
dc.title	Thakur, A. QSAR study on benzenesulfonamide ionization constant: physicochemical approach using surface tension. ARKIVOC 2005, 2005, 49-58.
qdb.property.endpoint	1. Physical Chemical Properties 1.10. Dissociation constant (pKa)	en_US
qdb.descriptor.application	ACD/Labs	en_US
bibtex.entry	article	en_US
bibtex.entry.author	Thakur, A.
bibtex.entry.doi	10.3998/ark.5550190.0006.e06	en_US
bibtex.entry.journal	ARKIVOC	en_US
bibtex.entry.month	May
bibtex.entry.number	14	en_US
bibtex.entry.pages	49-58	en_US
bibtex.entry.title	QSAR study on benzenesulfonamide ionization constant: physicochemical approach using surface tension	en_US
bibtex.entry.volume	2005	en_US
bibtex.entry.year	2005
qdb.model.type	Regression model (regression)	en_US