Towards a Universal SMILES representation - A standard method to generate canonical SMILES based on the InChI

Journal of Cheminformatics

Volumn 4, Issue 9, 2012, Pages

  O'Boyle, Noel M ^a  

^a UNIVERSITY COLLEGE CORK   (Ireland)

Author keywords

Canonicalisation; InChI; Line notations; SMILES

Indexed keywords

EID: 84867453227     PISSN: None     EISSN: 17582946     Source Type: Journal    
DOI: 10.1186/1758-2946-4-22     Document Type: Article

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