Application of the multiple computer aut
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Gilles Klopman; Dan Fercu
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Article
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1994
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John Wiley and Sons
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English
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## Abstract We applied the Multiple Computer Automated Structure Evaluation (MultiโCASE) program to the analysis of the relationship between the structure of 2464 organic acids and their (first) p__K__~__a__~ values. By using the selfโcreated expert dictionary of molecular attributes pertinent to a