【摘要】 在高通量药物筛选中 ,数学模型被认为是实现对样品库大规模筛选及筛选过程自动化的基础 .从热力学及动力学的角度对药物筛选的原理与方法进行了分析研究 ;同时也对药物与靶点的 3种可能的作用体系进行了研究 ,获得了药物筛选过程的热力学与动力学综合模型和基础数学模型更多还原

【Abstract】 In high throughput screening process, mathematic models are regarded as the foundations for large scale screening for compound library and automating the process. With thermodynamics and kinetics as the means, the article provides synthetically dynamic models by analyzing the principle of screening. Meanwhile, the article also analyzes three probable interactions between drugs and targets, and deduces corresponding mathematic models.更多还原