Title :
Empirical Study on Modeling Quantitative Composition- Activity Relationships in Chinese Herbal Medicine
Author :
Wang, Xuewei ; Wang, Yi ; Cheng, Yiyu
Author_Institution :
Pharm. Informatics Inst., Zhejiang Univ., Hangzhou
fDate :
6/27/1905 12:00:00 AM
Abstract :
Chinese herbal medicine (CHM) consists of up hundreds of chemical components, which have complex relationships with their bioactivities. Quantitatively modeling composition-activity relationships playing a crucial role in drug design from CHM. In this paper, principle component regression, partial least square regression and least square support vector machine were used to perform this task and exhibit high predictive precisions
Keywords :
drugs; least squares approximations; physiological models; principal component analysis; regression analysis; support vector machines; Chinese herbal medicine; drug design; least square support vector machine; partial least square regression; principle component regression; quantitative composition-activity relationships; Asia; Biological system modeling; Biomedical informatics; Chemicals; Drugs; Least squares methods; Pharmaceuticals; Predictive models; Principal component analysis; Support vector machines;
Conference_Titel :
Engineering in Medicine and Biology Society, 2005. IEEE-EMBS 2005. 27th Annual International Conference of the
Conference_Location :
Shanghai
Print_ISBN :
0-7803-8741-4
DOI :
10.1109/IEMBS.2005.1616302
