UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers
نویسندگان
چکیده
منابع مشابه
UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers
UniChem is a low-maintenance, fast and freely available compound identifier mapping service, recently made available on the Internet. Until now, the criterion of molecular equivalence within UniChem has been on the basis of complete identity between Standard InChIs. However, a limitation of this approach is that stereoisomers, isotopes and salts of otherwise identical molecules are not consider...
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ژورنال
عنوان ژورنال: Journal of Cheminformatics
سال: 2014
ISSN: 1758-2946
DOI: 10.1186/s13321-014-0043-5