基于分子指纹的中药化合物数据库的层次聚类分析.pdfVIP

CODEN JYYHE6／ISSN 1001—4160 ComputersandAppliedChemistry 2013，Vo1．30，No．6，575—581 HierarchicalclusteringoftraditionalChinesemedicinedatabasebased onM olecularFingerprint PengTao ，SunLianying’andZhouJiaju2 (1．DepartmentofSoftwareEngineering，CollegeofInformationTechnology,BeijingUnionUniversity,Beijing100101，China) (2．NationalKeyLaboratoryofBiochemicalEngineering，InstituteofProcessEngineernig，ChineseAcademyofSciences， Beijing100190，China) Abstract：Virtualscreeningisincreasinglyusedasacost-effectivecomplementtohigh—throughputscr