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image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
Journal of Chemical Information and Computer Sciences
Article . 1997 . Peer-reviewed
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Partial Orderings in Chemistry

Authors: Darko Babić; Douglas J. Klein;

Partial Orderings in Chemistry

Abstract

The cosmopolitan relevance of partially ordered mathematical structures in chemistry is argued. Many examples are briefly noted, including those involving chemical periodicities, reactivities, aromaticities, electronegativities, molecular branching, molecular shapes, symmetries, complexities, curve fittings, and more. A few fundamental theorems concerning metrics (or distance functions) on partially ordered sets are noted, first for the intuitively appealing ''scaled'' posets, then for the more general ''transformed'' posets. Interspersed along the way are a few examples which are developed to a greater extent, including Randic-Wilkins periodicity for alkanes ; the general concept of aromaticity ; molecular branching ; least-squares fittings ; and (most extensively) molecular shapes, chiralities, and symmetries. In each of these types of examples clarifications, alternative views, and extensions of previous works result.

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Keywords

graphs, molecular-properties, aromaticity, continuous symmetry measures ; molecular-properties ; quantifying chirality ; isomeric variations ; mixing character ; aromaticity ; distance ; similarity ; graphs ; classification, continuous symmetry measures, classification, quantifying chirality, isomeric variations, distance, similarity, mixing character

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    citations
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    54
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    Top 10%
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    Top 10%
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    Top 10%
Powered by OpenAIRE graph
Found an issue? Give us feedback
citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
54
Top 10%
Top 10%
Top 10%
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