About: 2D Structure Depiction

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Attributs	Valeurs
type	work Article
Is Part Of	http://hub.abes.fr/acs/periodical/jcisd8/2006/volume_46/issue_3/w
Subject	Article
Title	2D Structure Depiction
has manifestation of work	http://hub.abes.fr/acs/periodical/jcisd8/2006/volume_46/issue_3/101021ci050550m/m/print http://hub.abes.fr/acs/periodical/jcisd8/2006/volume_46/issue_3/101021ci050550m/m/web
related by	http://hub.abes.fr/acs/periodical/jcisd8/2006/volume_46/issue_3/101021ci050550m/authorship/1 http://hub.abes.fr/acs/periodical/jcisd8/2006/volume_46/issue_3/101021ci050550m/authorship/2 http://hub.abes.fr/acs/periodical/jcisd8/2006/volume_46/issue_3/101021ci050550m/authorship/3
Author	Labute Paul Clark Alex M. Santavy Martin
Abstract	A comprehensive algorithm for the depiction of 2D coordinates of chemical structures is described. Themethods used represent a significant improvement to the state of the art with regard to molecular connectiongraphs which pose particular difficulty to most layout efforts. Resulting coordinates are consistently ofpublication quality for a large subset of chemistry. The algorithm is discussed in detail, and measurementsof its overall success are presented.
article type	research-article
is part of this journal	Journal of Chemical Information and Modeling

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