Computing Methods for Herb Target Prediction:Technique Discussion and Experimental Analysis / 世界科学技术-中医药现代化

ABSTRACT

Due to the importance of molecular mechanisms of drug actions, network pharmacology has become a new perspective on drug mechanism research and novel drug discovery. Drug target prediction using computational methods, is one of the key research topics in network pharmacology. This paper reviewed the related research on drug target prediction methods. Furthermore, general principles of drug target prediction methods and key steps of them in recent years were summarized. Given the diversity of Chinese medicine ingredients, the network controlla-bility of herbs and the lack of high-quality pharmacological data, the network regulation mechanism of Chinese herb research will meet even more difficulties than modern drug research. Therefore, this paper also discussed main is-sues and research trends of Chinese herb target prediction. Finally, combining with the actual consolidated network data of Chinese herbs, chemical structure similarity computation and link prediction methods, the network-based herb target prediction method was proposed to demonstrate key research steps. Furthermore, we discussed the most significant research topics that we should addressed to enhance the high quality results of herb target prediction.