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Support Vector Regression Scoring of Receptor-Ligand Complexes for Rank-Ordering and Virtual Screening of Chemical Libraries
The Community Structure-Activity Resource (CSAR) datasets are used develop and test a Support Vector Machine-based scoring function in regression mode (SVR). Two scoring functions (SVR-KB and SVR-EP) are derived with the objective of reproducing the trend of the experimental binding affinities provi...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3209528/ https://ncbi.nlm.nih.gov/pubmed/21728360 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci200078f |
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