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Predicting Meridian in Chinese traditional medicine using machine learning approaches.

ABSTRACT: Plant-derived nature products, known as herb formulas, have been commonly used in Traditional Chinese Medicine (TCM) for disease prevention and treatment. The herbs have been traditionally classified into different categories according to the TCM Organ systems known as Meridians. Despite the increasing knowledge on the active components of the herbs, the rationale of Meridian classification remains poorly understood. In this study, we took a machine learning approach to explore the classification of Meridian. We determined the molecule features for 646 herbs and their active components including structure-based fingerprints and ADME properties (absorption, distribution, metabolism and excretion), and found that the Meridian can be predicted by machine learning approaches with a top accuracy of 0.83. We also identified the top compound features that were important for the Meridian prediction. To the best of our knowledge, this is the first time that molecular properties of the herb compounds are associated with the TCM Meridians. Taken together, the machine learning approach may provide novel insights for the understanding of molecular evidence of Meridians in TCM.

SUBMITTER: Wang Y

PROVIDER: S-EPMC6876772 | biostudies-literature | 2019 Nov

REPOSITORIES: biostudies-literature

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Predicting Meridian in Chinese traditional medicine using machine learning approaches.

Wang Yinyin Y Jafari Mohieddin M Tang Yun Y Tang Jing J

PLoS computational biology 20191125 11

Plant-derived nature products, known as herb formulas, have been commonly used in Traditional Chinese Medicine (TCM) for disease prevention and treatment. The herbs have been traditionally classified into different categories according to the TCM Organ systems known as Meridians. Despite the increasing knowledge on the active components of the herbs, the rationale of Meridian classification remains poorly understood. In this study, we took a machine learning approach to explore the classificatio ...[more]

PMID: 31765369

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Dataset Information

Predicting Meridian in Chinese traditional medicine using machine learning approaches.

Publications

Predicting Meridian in Chinese traditional medicine using machine learning approaches.

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