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Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database
Computer descriptions of chemical molecular connectivity are necessary for searching chemical databases and for predicting chemical properties from molecular structure. In this article, the ongoing work to describe the chemical connectivity of entries contained in the Crystallography Open Database (...
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| Publicado no: | J Cheminform |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer International Publishing
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5959826/ https://ncbi.nlm.nih.gov/pubmed/29777317 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-018-0279-6 |
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