A virtual drug screen schema based on multi-view similarity integration and ranking aggregation

作     者：Hong Kang~(1§),Qi Liu~(1§),Qi Huang~1,Ruixin Zhu~(1,2,*) and Zhiwei Cao~(1,3,*) 1 School of Life Science and Technology,Tongji University,200092,China 2Department of Chinese Material Medica,Liaoning University of Traditional Chinese Medicine, Shenyang,Liaoning 110032,China 3 Shanghai Center for Bioinformation and Technology,100 Qinzhou Road,Shanghai,200235,China 

会议名称：《2011年全国药物化学学术会议——药物的源头创新》

会议日期：2011年

学科分类：1006[医学-中西医结合] 10[医学] 100602[医学-中西医结合临床] 

关 键 词：virtual screen rank aggregation multi-view HIV-1 protease 

摘      要：正The current drug virtual screen（VS） methods mainly include two categories.i.e.,ligand/target structure-based virtual screen and the other one,utilizing protein-ligand interaction fingerprint information based on the large number of complex structures.Since the former one focuses on the one-side information while the later one focuses on the whole complex structure,they are thus complementary and can be boosted by each other.However,a common problem faced here is how to present a comprehensive understanding and evaluation of the various virtual screen results derived from various VS methods.Furthermore,there is still an urgent need for developing efficient approach to fully integrate various VS methods from a comprehensive multi-view perspective.