Development of Methods, Data and Software for Drug Target Interaction Prediction

Identifying drug-target interaction is an important step in the discovery of new drugs. Because of the high cost of the experiment in vitro, the computer based predictive method of drug-target interaction will greatly reduce the scope of the chemical space and accelerate the process of drug discovery. This paper introduces the data and software that are closely related to the drug-target prediction and main methods of its in-silico prediction. Then, the problems of drug target interaction prediction are summarized and discussed.