| Extremal problems for topological indices in combinatorial chemistry. | |
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MedLine Citation:
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PMID: 16201918 Owner: NLM Status: MEDLINE |
Abstract/OtherAbstract:
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Topological indices of molecular graphs are related to several physicochemical characteristics; recently, the inverse problem for some of these indices has been studied, and it has some applications in the design of combinatorial libraries for drug discovery. It is thus very natural to study also extremal problems for these indices, i.e., finding graphs having minimal or maximal index. In this paper, these questions will be discussed for three different indices, namely the sigma-index, the c-index and the Z-index, with emphasis on the sigma-index. |
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Authors:
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Robert F Tichy; Stephan Wagner |
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Publication Detail:
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Type: Journal Article; Research Support, Non-U.S. Gov't |
Journal Detail:
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Title: Journal of computational biology : a journal of computational molecular cell biology Volume: 12 ISSN: 1066-5277 ISO Abbreviation: J. Comput. Biol. Publication Date: 2005 Sep |
Date Detail:
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Created Date: 2005-10-05 Completed Date: 2008-02-29 Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 9433358 Medline TA: J Comput Biol Country: United States |
Other Details:
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Languages: eng Pagination: 1004-13 Citation Subset: IM |
Affiliation:
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Department of Mathematics, Graz University of Technology, Graz, Austria. tichy@tugraz.at |
Export Citation:
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| MeSH Terms | |
Descriptor/Qualifier:
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Combinatorial Chemistry Techniques*
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methods,
statistics & numerical data Computational Biology* / methods, statistics & numerical data Computer Graphics* / statistics & numerical data Computer Simulation / statistics & numerical data Drug Design Models, Statistical |
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