【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...