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Binding Affinity prediction with Property Encoded Shape Distribution signatures
We report the use of the molecular signatures known as “Property-Encoded Shape Distributions” (PESD) together with standard Support Vector Machine (SVM) techniques to produce validated models that can predict the binding affinity of a large number of protein ligand complexes. This “PESD-SVM” method...
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| Autors principals: | , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2010
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2846646/ https://ncbi.nlm.nih.gov/pubmed/20095526 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci9004139 |
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