PubChem chemical structure standardization

PubChem chemical structure standardization

Abstract Background PubChem is a chemical information repository, consisting of three primary databases: Substance, Compound, and BioAssay. When individual data contributors submit chemical substance descriptions to Substance, the unique chemical structures are extracted and stored into Compound thr...

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Bibliographic Details
Main Authors: Volker D. Hähnke, Sunghwan Kim, Evan E. Bolton
Format: Article
Language:English
Published: BMC 2018-08-01
Series:Journal of Cheminformatics
Subjects:
PubChem
Standardization
InChI
Tautomerism
Aromaticity
Kekulization
Online Access:http://link.springer.com/article/10.1186/s13321-018-0293-8

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