Literature DB >> 10761138

Expert system assisted pharmacophore identification

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Abstract

An expert system for automatic perception of pharmacophoric groups is presented. Important features include consideration of the protonation state at physiological pH and detection of potential tautomerism. This perception information is used in the generation of pharmacophores using clique detection.

Year:  2000        PMID： 10761138     DOI： 10.1021/ci990106h

Source DB:  PubMed          Journal:  J Chem Inf Comput Sci        ISSN： 0095-2338


  2 in total

1.  Strategies for assessing proton linkage to bimolecular interactions by global analysis of isothermal titration calorimetry data.

Authors:  Nathan P Coussens; Peter Schuck; Huaying Zhao
Journal:  J Chem Thermodyn       Date:  2012-09-01       Impact factor: 3.178

2.  So you think you understand tautomerism?

Authors:  Roger A Sayle
Journal:  J Comput Aided Mol Des       Date:  2010-03-23       Impact factor: 3.686
  2 in total

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