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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...
Autores principales: | Chambers, Jon, Davies, Mark, Gaulton, Anna, Papadatos, George, Hersey, Anne, Overington, John P |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer International Publishing
2014
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Materias: | |
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 |
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