MODULAR EXPERT SYSTEM FOR HPLC METHOD DEVELOPMENT

尽管对计算机辅助方法进行了10年的密集研究 高效液相色谱分离的发展，相对较少的色谱学家使用这些 技术在很大程度上。我们打算开发一台计算机 程序(MISH-模块化优化软件/专家系统) 解决了这个问题。基于WEB的计算机仿真模块 将色谱理论集成到一个专家系统框架中 这解决了在高效液相色谱方法中遇到的大多数问题 发展。该程序将适用于这两个小分子样品 (大多数以前的工作都解决了这一问题)和感兴趣的大生物分子 在生命科学领域。该方案还将协助选择 初始条件，样品前处理，优化分离和 放大制备性分离。之前已确认的需求 计算机辅助方法开发(例如，用户友好的环境， 分离、峰值跟踪等可靠、方便的映射。)将会是 地址。

Despite 10 years of intensive research into computer-assisted method development for HPLC separation, relatively few chromatographers use these techniques to a significant extent. We propose to develop a computer program (MOSES - Modular Optimization Software/Expert System) that addresses this problem. Computer-simulation modules based on chromatographic theory will be integrated into an expert system framework that addresses most of the problems encountered during HPLC method development. The program will be applicable to both small-molecule samples (which most previous work addresses) and to large biomolecules of interest in the life sciences. The program will also assist in the selection of initial conditions, sample pretreatment, optimizing the separation and scaling up for preparative separation. Previously recognized needs in computer-assisted method development (e.g., user-friendly environment, reliable and convenient mapping of separation, peak tracking, etc.) will be addressed.