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Recent applications of deep learning and machine intelligence on in silico drug discovery: methods, tools and databases
(Oxford Univ Press, 2019)
The identification of interactions between drugs/compounds and their targets is crucial for the development of new drugs. In vitro screening experiments (i.e. bioassays) are frequently used for this purpose; however, ...
MDeePred: novel multi-channel protein featurization for deep learning-based binding affinity prediction in drug discovery
(Oxford University Press, 2021)
Motivation: Identification of interactions between bioactive small molecules and target proteins is crucial for novel drug discovery, drug repurposing and uncovering off-target effects. Due to the tremendous size of the ...