Predicting Meridian in Chinese traditional medicine using machine learning approaches
Fig 1
Herb-compound network shows the associations between herbs (green rectangles) and their active compounds (purple circles), which were used to determine the Herb-Feature and the Compound-Meridian matrices from the Herb-Meridian and Compound-Feature matrices. The features of herbs and compounds were determined from the chemical fingerprints and ADME properties. Machine learning methods were utilized to predict the Meridian classes for herbs and compounds respectively, by parameter optimization, model selection and feature selection.