High-throughput Drug Screening, Liquid Chromatography / Mass Spectrometry With Automatic Analysis System Software Design

The high throughput screening which is a new technology in drug research has been developed since the late twentieth century. With the fast development of the high throughput screening, the methods and theories of drug discovery have been rised tremendous changes. In our research, we make the high throughput screening system separate, analyze and filtrate drug at the same time. It did not exit in old system. With the development of the liquid chromatogram and mass spectrum(LC/MS) technology and the appearance of the LC/MS instruments, LC/MS has been playing more and more roles in medicines and biomacromolecule field. With the use of LC/MS in the high throughput screening system, it provided plentiful samples and credible sample messages which fasten rate of progress of new drug research. In the process of using LC/MS, LC/MS data processing and analysis is always the pivotal problem. As an advanced processing technology, LC/MS data processing system has a great market potential. But because it so expensive that many laboratories still used old LC/MS system software. So we use the mature exploiture technologies to empolder a simple and applied LC/MS automatic analysis software. This paper has discussed how to choose signal collection hardware circuit of LC/MS automatic analysis system and how to design and realize this software. First, the use of LC/MS and some knowledge of LC/MS instruments has been introduced in the paper. Second, in collection of hardware circuit we has detailedly discussed how to confirm the system's communication mode and how to choose a data collection module. Third, in designing software we use a lot of data processing technologies to filter the LC/MS signal. at the same time, use glide window to identify characteristic points of wave. We also use Middle Cut Method to explain areas of superposed wave. Fourth, as to system function, LC/MS software can separate and analyze samples, such as set up system's parameter, get signal, analyze and process signal, signal's aftertreatment and get result and so on. Finally, this software has been validated with experiment data.