Tautomerism, Hammett σ, and QSAR-Reference-Cited by-同舟云学术

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Tautomerism, Hammett σ, and QSAR

Published:2010-03-18 Issue:6-7 Volume:24 Page:613-616
ISSN:0920-654X
Container-title:Journal of Computer-Aided Molecular Design
language:en
Short-container-title:J Comput Aided Mol Des

Author:

Martin Yvonne Connolly

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry,Computer Science Applications,Drug Discovery

Link

http://link.springer.com/content/pdf/10.1007/s10822-010-9325-9.pdf

Reference19 articles.

1. Martin YC, Hackbarth JJ (1976) J Med Chem 19:1033–1039

2. Martin YC (1978) Quantitative drug design. Dekker, New York Second edition in print, Taylor and Francis

3. Martin YC (1980) In: Yalkowsky SH, Sinkula AA, Valvani SC (eds) Physical chemical properties of drugs. Marcel Dekker, New York, pp 49–110

4. Katritzky A (1994) Lecture 6. Heterocyclic tautomerism. http://ufark12.chem.ufl.edu/Lectures/L6.pdf . Accessed February 22, 2010

5. Sorensen PE, McClelland RA, Gandour RD (1991) Acta Chem Scand 45:558–566

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1. Reliable gas-phase tautomer equilibria of drug-like molecule scaffolds and the issue of continuum solvation;Journal of Computer-Aided Molecular Design;2022-11

2. Prediction of the tautomer stability and acidity of phenacylpyridines in aqueous solution;Theoretical Chemistry Accounts;2020-02-18

3. Meta-QSAR: a large-scale application of meta-learning to drug design and discovery;Machine Learning;2017-12-22

4. Tautomerism and multiple modelling enhance the efficacy of QSAR: antimalarial activity of phosphoramidate and phosphorothioamidate analogues of amiprophos methyl;Medicinal Chemistry Research;2014-06-10

5. Conformation/Tautomerization effect on the pKa values of lumazine and 6-thienyllumazine;Journal of Physical Organic Chemistry;2014-06-04

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