Periodic Classification of Local Anaesthetics (Procaine Analogues)

1 Institut Universitari de Ciencia Molecular, Universitat de Valencia, Edifici d'Instituts de Paterna, P. O. Box 22085, E-46071 Valencia, Spain. http://www.uv.es/~uiqt/index.htm. Tel. +34 963 544 431, Fax +34 963 543 274 2 Departamento de Ciencias Experimentales, Facultad de Ciencias Experimentales, Universidad Catolica de Valencia San Vicente Martir, Guillem de Castro-106, E-46003 Valencia, Spain * Author to whom correspondence should be addressed. E-mail: francisco.torrens@uv.es Received: 16 December 2005 / Accepted: 26 January 2006 / Published: 31 January 2006 Abstract: Algorithms for classification are proposed based on criteria ( information entropy and its production). 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 these 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. The periodic law of anaesthetics has not the rank of the laws of physics: (1) the properties of anaesthetics are not repeated; (2) the order relationships are repeated with exceptions. The proposed statement is: The relationships that any anaesthetic p has with its neighbour p + 1 are approximately repeated for each period. Keywords: periodic property, periodic table, periodic law, classification, information entropy, equipartition conjecture, principal component analysis, cluster analysis, local anaesthetic, procaine analogue.

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