CHEMO Notation. A Line Notation for Organic Compounds Following IUPAC Nomenclature

CHEMO notation is a high-level line notation faithfully in line with the IUPAC nomenclature to describe organic compounds and even reactions. It has conserved the concepts in nomenclature concerned with superatoms (parent rings and functional groups) as well as stereochemistry, by describing the corresponding symbols and modifiers as universal descriptors that may be used in estimation in chemistry. It can describe fusion, atom replacement, configuration, etc. One can convert a CHEMO formula or equation both to a connection table composed of superatoms as nodes and stereo modifier symbols and to a conventional one composed of single atoms and vice versa. CHEMO notation describes compounds more precisely than prevailing line notations that denote only skeletal connection in them. It does not request rigorous rules, but a subsystem CANON can prepare unique representation from it.

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PID https://www.doi.org/10.1021/ci9501094.s001
PID https://www.doi.org/10.1021/ci9501094
URL https://pubs.acs.org/doi/pdf/10.1021/ci9501094
URL https://figshare.com/articles/journal_contribution/CHEMO_Notation_A_Line_Notation_for_Organic_Compounds_Following_IUPAC_Nomenclature/7944833
URL https://doi.org/10.1021/ci9501094
URL http://doi.org/10.1021/ci9501094
URL http://dx.doi.org/10.1021/ci9501094
URL https://dblp.uni-trier.de/db/journals/jcisd/jcisd36.html#Yoneda96
URL https://academic.microsoft.com/#/detail/2072388826
URL https://pubs.acs.org/doi/10.1021/ci9501094
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Author Yukio Yoneda
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Collected From figshare; Crossref; Microsoft Academic Graph
Hosted By figshare; Journal of Chemical Information and Computer Sciences
Publication Date 2019-04-03
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Language English
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Source https://science-innovation-policy.openaire.eu/search/publication?articleId=dedup_wf_001::e869b2eafefcacdff5f397ff02d12f7a
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Last Updated 24 December 2020, 20:01 (CET)
Created 24 December 2020, 20:01 (CET)