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Small-molecule 3D Structure Prediction Using Open Crystallography Data
Predicting the 3D structures of small molecules is a common problem in chemoinformatics. Even the best methods are inaccurate for complex molecules, and there is a large gap in accuracy between proprietary and free algorithms. Previous work presented COSMOS, a novel, data-driven algorithm that uses...
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| Autors principals: | , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2013
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3918487/ https://ncbi.nlm.nih.gov/pubmed/24261562 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci4005282 |
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