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Electronic Notes in Theoretical Computer Science
Article . 2005 . Peer-reviewed
License: CC BY NC ND
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Chemical Graphs, Chemical Reaction Graphs, and Chemical Graph Transformation

Authors: Francesc Rosselló; Gabriel Valiente;

Chemical Graphs, Chemical Reaction Graphs, and Chemical Graph Transformation

Abstract

AbstractChemical reactions are described by edge relabeling graph transformation rules, in which a substrate chemical graph is transformed into a product chemical graph by breaking existing bonds and creating new bonds between atoms. These edge relabeling graph transformation rules are themselves chemical graphs, where the order of a bond before the chemical reaction is distinguished from the order of the bond after the chemical reaction. The approach is illustrated by an implementation on top of the PerlMol collection of Perl modules for computational chemistry.

Keywords

chemical reaction, graph transformation, PerlMol, explicit chemical reaction, Chemical graph, edge relabeling, Theoretical Computer Science, Computer Science(all)

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    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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selected citations
These citations are derived from selected sources.
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!
16
Top 10%
Top 10%
Top 10%
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