EventsThe 11th International Electronic Conference on Synthetic Organic Chemistry
Event submissions
Published
with-doi10.3390/ecsoc-11-01363
This submission belongs to the session g. Computational Chemistry of the event The 11th International Electronic Conference on Synthetic Organic Chemistry
Published date
30 Nov, 2007
Citation
Gloria Castellano, Francisco Torrens, Periodic Classification of Human Immunodeficiency Virus Inhibitors, in Proceedings of The 11th International Electronic Conference on Synthetic Organic Chemistry, 1 November–30 November 2007, MDPI: Basel, Switzerland, doi: 10.3390/ecsoc-11-01363
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Periodic Classification of Human Immunodeficiency Virus Inhibitors

Francisco Torrens 1
Gloria Castellano 1
1. Institut Universitari de Ciència Molecular, Universitat de València, Edifici d'Instituts de Paterna, P. O. Box 22085, E-46071 València, Spain
Abstract
Classification algorithms are proposed based on information entropy and applied to 13 human immunodeficiency virus type 1 inhibitors. A number of results are compatible with the data suffering combinatorial explosion. After the equipartition conjecture, entropy production is most uniformly distributed. In ddI the formula is N4O3S0P0 , X = F, Cl; it is selected as a reference . In most cases (ddI, ddC, d4T, novel proposed ligand) the formula is N3–4O3S0P0X0 , while in 3TC the formula is N3O3S1P0X0. The analysis compares well with other classification taken as good.
Keywords
n/a
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