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Validation and extraction of molecular-geometry information from small-molecule databases
A freely available small-molecule structure database, the Crystallography Open Database (COD), is used for the extraction of molecular-geometry information on small-molecule compounds. The results are used for the generation of new ligand descriptions, which are subsequently used by macromolecular m...
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| Yayımlandı: | Acta Crystallogr D Struct Biol |
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| Asıl Yazarlar: | , , , , , , |
| Materyal Türü: | Artigo |
| Dil: | Inglês |
| Baskı/Yayın Bilgisi: |
International Union of Crystallography
2017
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| Konular: | |
| Online Erişim: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5297913/ https://ncbi.nlm.nih.gov/pubmed/28177306 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2059798317000079 |
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