(Q57965574)

2

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Haixia Zhang

3

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Xiaoyun Zhang

4

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Mancang Liu

5

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Zhide Hu

6

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Botao Fan

pK a Prediction for Organic Acids and Bases

7

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publication date

24 August 2005

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published in

Pharmaceutical Research

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volume

22

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issue

9

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page(s)

1454-1460

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cites work

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS11095-005-6246-8

Simplified methods for pKa and acid pH-dependent stability estimation in proteins: removing dielectric and counterion boundaries.

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS11095-005-6246-8

Predicting pK(a) by molecular tree structured fingerprints and PLS.

21 January 2018

1 reference

12 December 2020

Modeling steric and electronic effects in 3D- and 4D-QSAR schemes: predicting benzoic pK(a) values and steroid CBG binding affinities

1 reference

12 December 2020

Prediction of human volume of distribution values for neutral and basic drugs. 2. Extended data set and leave-class-out statistics

1 reference

12 December 2020

Quantitative prediction of liquid chromatography retention of N-benzylideneanilines based on quantum chemical parameters and radial basis function neural network

1 reference

12 December 2020

The comparative molecular surface analysis (COMSA)--a nongrid 3D QSAR method by a coupled neural network and PLS system: predicting pK(a) values of benzoic and alkanoic acids

1 reference

12 December 2020

Novel methods for the prediction of logP, pK(a), and logD.

1 reference

12 December 2020

Quantitative structure-activity relationship of flavonoid analogues. 3. Inhibition of p56lck protein tyrosine kinase

1 reference

12 December 2020

Estimating the pKa of phenols, carboxylic acids and alcohols from semi-empirical quantum chemical methods

1 reference

12 December 2020

Application of multivariate data analysis methods to comparative molecular field analysis (CoMFA) data: proton affinities and pKa prediction for nucleic acids components

1 reference

12 December 2020

Prediction of distribution coefficient from structure. 2. Validation of Prolog D, an expert system.

1 reference

12 December 2020

Prediction of pH-dependent properties of proteins

1 reference

12 December 2020

Multigrid solution of the nonlinear Poisson-Boltzmann equation and calculation of titration curves

1 reference

12 December 2020

Comparative study of QSAR/QSPR correlations using support vector machines, radial basis function neural networks, and multiple linear regression.

1 reference

12 December 2020