| Huge data and information of traditional Chinese medicine (TCM) have come into being a knowledge mine for several thousands years. However, utilization of the data and information of TCM is a challenge for people. It needs to establish standard of TCM data and designed TCM information system for storage, management and knowledge-mining of the basic information. This system provided a data platform and data mining tool for research of modern TCM. It is very important to accerlate the process of TCM modernization. Therefore, this paper foucsed on the research of TCM informatics including data processing, data mining and construction of database.The main results obtained in the studies include the following paradigms:1. Chemical information of TCM can be got by all kinds of methods. Several methods for analysis of TCM components were described. The first is an approach to identify the components in "Jing-Zhi-Guan-Xin" troche. Six fractions separated from the "Jing-Zhi-Guan-Xin" troche by a normal phase MPLC were analyzed by HPLC-D AD-MS in both positive and negative ion mode. The results showed that this approach was helpful to characterization and identification of TCM preparations. The second is a HPLC-DAD-ESI-MSn method which was developed for simultaneous analysis of major chemical constituents in "QI-SHEN-YI-QI" dropping pill. The third is a high performance liquid chromatography coupled with ultraviolet detection and evaporative light scattering detection (HPLC-UV-ELSD) method that was developed for simultaneously determining seven bioactive components, i.e. Danshensu, Protocatechuic aldehyde, Salvianolic acid B, Notoginsenoside R1, Ginsenoside Rg1, Ginsenoside Rb1, and Astragalosideâ…£in'QI-SHEN-YI-QI' dropping pill.2. In order to facilitate components identification, an integrated data processing method was developed to automatically process the analytical data of HPLC-DAD-MS. This method was proposed to facilitate the pace of identification and characterize detectable components by retention time, molecular weight, UV spectra and plant origin. The denoising was the first step to process data. A new method to reduce noising of LC-MS data based on information entropy (RNIE) was developed. We proposed a method for automated molecular weight assignment by processing ESI-MS data, and a software application that facilitates automated data processing and molecular weight assignment for chromatographic peaks was been developed. In this paper, this method was applied to the primary identification of the chemical composition of 'Jing-Zhi-Guan-Xin' troche.3. Currently, chromatographic fingerprinting has become a powerful approach on the quality control of herbal medicines. In order to improve the practicability of fingerprinting technology in quality control of traditional Chinese medicine (TCM), a TCM fingerprint database (TCMF-DB) is developed in this study. The database offers not only basic information of TCM, including names, batch number, and manufacturers, but also the detailed fingerprint information such as the chromatographic method, analytical conditions, and chromatographic data. Since many chemometrics techniques are integrated into TCMF-DB, the comparative analysis can be easily performed. The design and implementation of the TCMF-DB are exactly shown in this study, and it is suggested that the developed database system is very helpful to improve the quality control of TCM.4. In this work, we have constructed a database system, termed the components of TCM database (CTCM-DB), to manage and analyze the data of CTCM. It is facilitated to manage, search and process the data by using CTCM-DB. The system currently enables the following function:(1) Access data from standards files that are produced by HPLC. (2) Query information. (3) Display and operate plot of the fingerprint. (4) Measure of similarity between fingerprints. As a novel tool for the fingerprint management and processing, the developed system can be directly used to quality control of TCM.
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