About: Structural Diversity of Small Molecule Libraries

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Attributs	Valeurs
type	work Article
Is Part Of	http://hub.abes.fr/acs/periodical/jcics1/2001/volume_41/issue_2/w
Subject	Article
Title	Structural Diversity of Small Molecule Libraries
has manifestation of work	http://hub.abes.fr/acs/periodical/jcics1/2001/volume_41/issue_2/101021ci000111h/m/web http://hub.abes.fr/acs/periodical/jcics1/2001/volume_41/issue_2/101021ci000111h/m/print
related by	http://hub.abes.fr/acs/periodical/jcics1/2001/volume_41/issue_2/101021ci000111h/authorship/2 http://hub.abes.fr/acs/periodical/jcics1/2001/volume_41/issue_2/101021ci000111h/authorship/1
Author	Jørgensen Anne Marie Munk Pedersen Jan T.
Abstract	A novel method for assessing structural diversity is presented. Maximum common subgraph identity isused as the measure of similarity between two chemical structures. A conditional probability treatment ofsimmilarity distributions for libraries of chemical structures is used to define diversity. This evaluationmethod together with the evaluation of traditional physicochemical properties is used to assess a large numberof chemical libraries and to understand structural differences between these.
article type	research-article
is part of this journal	Journal of Chemical Information and Computer Sciences

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