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

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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

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

Eq9: Model for benzenesulfonamides

Regression model (regression)

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NameTypen

R2

σ

Training settraining200.8930.307
Outlierexternal validation1N/A0.000

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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


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