Consistency of systematic chemical identifiers within and between small-molecule databases

Consistency of systematic chemical identifiers within and between small-molecule databases

<p>Abstract</p> <p>Background</p> <p>Correctness of structures and associated metadata within public and commercial chemical databases greatly impacts drug discovery research activities such as quantitative structure–property relationships modelling and compound novelty...

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Bibliographic Details
Main Authors: Akhondi Saber A, Kors Jan A, Muresan Sorel
Format: Article
Language:English
Published: BMC 2012-12-01
Series:Journal of Cheminformatics
Subjects:
Molecular structure
Chemical databases
Systematic chemical identifiers
Quality control
InChI
SMILES
IUPAC
Online Access:http://www.jcheminf.com/content/4/1/35

Internet

http://www.jcheminf.com/content/4/1/35

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