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Optimization and visualization of the edge weights in optimal assignment methods for virtual screening
BACKGROUND: Ligand‐based virtual screening plays a fundamental part in the early drug discovery stage. In a virtual screening, a chemical library is searched for molecules with similar properties to a query molecule by means of a similarity function. The optimal assignment of chemical graphs has pro...
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| Главные авторы: | , , , |
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| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
BioMed Central
2013
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| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3639874/ https://ncbi.nlm.nih.gov/pubmed/23531368 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1756-0381-6-7 |
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