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Combined Virtual Screening and Substructure Search for Discovery of Novel FABP4 Inhibitors.
Haiyan Cai
Ting Wang
Zhuo Yang
Zhijian Xu
Guimin Wang
He-Yao Wang
Weiliang Zhu
Kaixian Chen
Published in:
J. Chem. Inf. Model. (2017)
Keyphrases
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similarity searching
virtual screening
knowledge discovery
chemical structures
data mining
graphical models
keyword search
similarity measure
bayesian networks
end users
drug discovery