Representation of chemical structures

At the root of applications for substructure and similarity searching, reaction retrieval, synthesis planning, drug discovery, and physicochemical property prediction is the need for a machine‐readable representation of a structure. Systematic nomenclature is unsuitable, and notations and fragment c...

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Veröffentlicht in:	Wiley interdisciplinary reviews. Computational molecular science 2011-07, Vol.1 (4), p.557-579
1. Verfasser:	Warr, Wendy A.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical reactions Chemical synthesis Nomenclature Physicochemical processes Representations Tables
Online-Zugang:	Volltext
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