TCMFP: a novel herbal formula prediction method based on network target's score integrated with semi-supervised learning genetic algorithms

Traditional Chinese medicine (TCM) has accumulated thousands years of knowledge in herbal therapy, but the use of herbal formulas is still characterized by reliance on personal experience. Due to the complex mechanism of herbal actions, it is challenging to discover effective herbal formulas for diseases by integrating the traditional experiences and modern pharmacological mechanisms of multi-target interactions. In this study, we propose a herbal formula prediction approach (TCMFP) combined therapy experience of TCM, artificial intelligence and network science algorithms to screen optimal herbal formula for diseases efficiently, which integrates a herb score (Hscore) based on the importance of network targets, a pair score (Pscore) based on empirical learning and herbal formula predictive score (FmapScore) based on intelligent optimization and genetic algorithm. The validity of Hscore, Pscore and FmapScore was verified by functional similarity and network topological evaluation. Moreover, TCMFP was used successfully to generate herbal formulae for three diseases, i.e. the Alzheimer's disease, asthma and atherosclerosis. Functional enrichment and network analysis indicates the efficacy of targets for the predicted optimal herbal formula. The proposed TCMFP may provides a new strategy for the optimization of herbal formula, TCM herbs therapy and drug development.

Automated summary

Traditional Chinese medicine (TCM) has a long history in herbal therapy, but the use of herbal formulas still relies on personal experience. This study proposes a herbal formula prediction approach (TCMFP) that integrates TCM therapy experience, artificial intelligence, and network science algorithms to efficiently screen optimal herbal formulas for diseases. The approach includes a herb score (Hscore) based on network target importance, a pair score (Pscore) based on empirical learning, and a herbal formula predictive score (FmapScore) based on intelligent optimization and genetic algorithm. TCMFP successfully generated herbal formulas for Alzheimer's disease, asthma, and atherosclerosis, and functional enrichment and network analysis verified the efficacy of the predicted optimal herbal formulas.