title: Fusing similarity rankings in ligand-based virtual screening.
abstract: 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.
authors.affiliation: Information School, University of Sheffield, 211 Portobello Street, Sheffield S1 4DP, United Kingdom.
authors.forename: Peter
authors.initials: P
authors.lastname: Willett
keywords: Combination methods; Ranking methods; Similarity measures; Similarity searching; Virtual screening