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The optimization of running time for a maximum common substructure-based algorithm and its application in drug design

  • 【作者】Jian Chen,Jia Sheng,Dijing Lv,Yang Zhong,Guoqing Zhang,Peng Nan
  • 【DOI】10.1016/j.compbiolchem.2013.10.003
  • 【作者单位】a Ministry of Education Key Laboratory for Biodiversity Science and Ecological Engineering, School of Life Sciences, Fudan University, Shanghai 200433, PR China; b Shanghai Center for Bioinformation Technology, Shanghai 200235, PR China; c Institute of Biodiversity Science and Geobiology, Tibet University, Lhasa 850000, China
  • 【年份】2014
  • 【卷号】Vol.48
  • 【页码】14-20
  • 【ISSN】1476-9271
  • 【关键词】Running time MCS Optimization 
  • 【摘要】 In the field of drug discovery, it is particularly important to discover bioactive compounds through high-throughput virtual screening. The maximum common substructure-based (MCS) algorithm is a promising method for the virtual screening of drug cand...
  • 【文献类型】 期刊
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