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文章基本信息

  • 标题:FUSING SIMILARITY RANKINGS IN LIGAND-BASED VIRTUAL SCREENING
  • 本地全文:下载
  • 作者:Peter Willett
  • 期刊名称:Computational and Structural Biotechnology Journal
  • 印刷版ISSN:2001-0370
  • 出版年度:2013
  • 卷号:5
  • 期号:6
  • DOI:10.5936/csbj.201302002
  • 语种:
  • 出版社:Computational and Structural Biotechnology Journal
  • 摘要:Data fusion is the name given to a range of methods for combining multiple sources of evidence. This mini-review summarizes the use of one such class of methods for combining the rankings obtained when similarity searching is used for ligand-based virtual screening. Two main approaches are described: similarity fusion involves combining rankings from single searches based on multiple similarity measures; and group fusion involves combining rankings from multiple searches based on a single similarity measure. The review then focuses on the rules that are available for combining similarity rankings, and on the evidence that exists for the superiority of fusion-based methods over conventional similarity searching.
  • 关键词:Combination methods ; Ranking methods ; Similarity measures ; Similarity searching ; Virtual screening
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