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Information entropy and the classification of local anaesthetics
Published: 30 November 2007 by MDPI in The 11th International Electronic Conference on Synthetic Organic Chemistry session Computational Chemistry
Abstract: Algorithms for classification and taxonomy based on criteria such as information entropy and its production are proposed. As an example, the feasibility of replacing a given anaesthetic by similar ones in the composition of a complex drug is studied. Some local anaesthetics currently in use are classified using characteristic chemical properties of different portions of their molecules. Many classification algorithms are based on information entropy. When applying the procedures to sets of moderate size, an excessive number of results appear compatible with data, and this number suffers a combinatorial explosion. However, after the equipartition conjecture, one has a selection criterion between different variants resulting from classification between hierarchical trees. According to this conjecture, for a given charge or duty, the best configuration of a flowsheet is the one in which the entropy production is most uniformly distributed. Information entropy and principal component analyses agree.
Keywords: Periodic property, Periodic table, Periodic law, Classification, Information entropy, Equipartition conjecture