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4D Flexible Atom-Pairs: An efficient probabilistic conformational space comparison for ligand-based virtual screening
BACKGROUND: The performance of 3D-based virtual screening similarity functions is affected by the applied conformations of compounds. Therefore, the results of 3D approaches are often less robust than 2D approaches. The application of 3D methods on multiple conformer data sets normally reduces this...
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| 主要な著者: | , , , |
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| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
BioMed Central
2011
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3156737/ https://ncbi.nlm.nih.gov/pubmed/21733172 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1758-2946-3-23 |
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