Research advance in the drug target prediction based on chemoinformatics
Fang, J.-s.; Liu, A.-l.; Du, G.-h.
Yao Xue Xue Bao 49(10): 1357-1364
2014
ISSN/ISBN: 0513-4870 PMID: 25577863 Document Number: 678939
The emerging of network pharmacology and polypharmacology forces the scientists to recognize and explore new mechanisms of existing drugs. The drug target prediction can play a key significance on the elucidation of the molecular mechanism of drugs and drug reposition. In this paper, we systematically review the existing approaches to the prediction of biological targets of small molecule based on chemoinformatics, including ligand-based prediction, receptor-based prediction and data mining-based prediction. We also depict the strength of these methods as well as their applications, and put forward their developing direction.