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 app...

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Detalles Bibliográficos
Autores principales: Chambers, Jon, Davies, Mark, Gaulton, Anna, Papadatos, George, Hersey, Anne, Overington, John P
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2014
Materias:
Database
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158273/
https://www.ncbi.nlm.nih.gov/pubmed/25221628
http://dx.doi.org/10.1186/s13321-014-0043-5

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158273/
https://www.ncbi.nlm.nih.gov/pubmed/25221628
http://dx.doi.org/10.1186/s13321-014-0043-5

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