Regression model (regression)
Open in:QDB ExplorerQDB Predictor
Name | Type | n |
R2 |
σ |
---|---|---|---|---|
Training set | training | 20 | 0.893 | 0.307 |
Outlier | external validation | 1 | N/A | 0.000 |
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. https://doi.org/10.15152/QDB.147
Thakur, A. QSAR study on benzenesulfonamide ionization constant: physicochemical approach using surface tension. ARKIVOC 2005, 2005, 49-58. https://doi.org/10.3998/ark.5550190.0006.e06
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 |
Name | Description | Format | Size | View |
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2005ARKIVOC49.qdb.zip | pKa model for benzenesulfonamides | application/zip | 6.126Kb | View/ |