Similarity based virtual Screening:Effect of Similarity coefficient and Dataset

• 作 者: HuaXiang;JohnD.Holliday;PeterWillett;
• 机 构: Information School, University of Sheffield, 211 Portobello Street,Sheffield S1 4DP, United Kingdom
• 出 处: 中国化学会第28届学术年会
• 发表日期: 2012年期

　　Any similarity measure that is to be used for similarity-based virtual screening (SBVS) has three principal components: the structure representation,the weighting scheme,and the similarity coefficient [1].The many previous studies of SBVS that have been carried out have demonstrated that effective screening can be achieved using binary fingerprints and the Tanimoto coefficient.