基于特征比对算法的蛋白质质谱鉴定仿真

Simulation of Mass Spectrometry Based on Algorithm of Feature Similarity Compare

为了满足质谱鉴定领域的高通量、高准确度的需求,传统的人工鉴定方法不理想,准确性差。为了提高定量精度,提出了利用计算机仿真手段,实现蛋白质质谱快速准确性鉴定。根据分析蛋白质质谱鉴定原理,建立有关模型,然后采用特征比对的方法,对质谱数据进行特征提取和比对分析,设计适合于蛋白质质谱鉴定的特征比对算法,并进行鉴定仿真。仿真结果表明,利用特征比对质谱鉴定方法在鉴定速度及鉴定准确度方面优于传统的方法,验证了使用特征比对方法对蛋白质质谱鉴定的有效性,并为蛋白质鉴定系统优化设计研究提供参考。

A new type of mass spectrum identification approach which is assistant by computer simulation was proposed.This method can satisfied the high speed and high accuracy demands.Through the analyses of the methods and principles of mass spectrum identification,corresponding spectrum predict model was proposed.This method mainly focuses on designing a high efficiency algorithm to realize computer simulate identification.In the respect of speed and accuracy,the performance of this method precedes the traditional one which popularly used in the field of mass spectrometry;also,it provides a reference for the study of optimizing performance of protein prediction system.