Abstract:

Objective   To investigate the feasibility of partial least squares (PLS) in the discrimination of traditional Chinese herbal medicine property(CHMP). Methods   Information on original effects of 1725 kinds of Chinese herbal medicine (CHM) was collected from “Chinese Herbal Medicine”. Two PLS-based methods were performed to build the discrimination model, which was evaluated by consistent homology rate, extrapolated prediction and 5 fold cross validation. Results   Using the two PLS-based methods, consistent homology rates of property with original discriminant results were 92-75％ and 94-67％, respectively. Predictive accuracies of testing set were 8551％ and 8986％, respectively. 10-iteration 5-fold cross validation accuracy were 88-28％ and 90-46％, respectively. Conclusion   According to original effects of CHM, the PLSbased methods can be useful in discriminating CHMP, with high accuracy and stability, and effectively deal with multicollinearity of multivariate, providing a new idea and method for discrimination of CHMP.

Key words:  Partial least squares; Chinese herbal medicine property; Discriminant analysis; Linear discrimination