ABSTRACT

Researchers in bioinformatics and medical science fields have been developing various innovative information systems and software tools using emerging technologies. Metabolite profiling is one of the fields in which bioinformatics researchers are intensely developing various innovative methods and software tools. Metabolites are the intermediate and end products of metabolism, which is the set of life-sustaining chemical reactions in living organisms. Accurate and complete identification of metabolites can advance many medical science and bioinformatics fields by providing a direct way of observing metabolic activities. The analysis of tandem mass spectrometry (MS/MS) data has been a long-term computational challenge in bioinformatics. This study examines various existing and emerging methods and software tools for analyzing MS/MS data for metabolite identification and discusses challenges and future perspectives in this important bioinformatics research area.

摘要

生物信息学和医学科学领域的研究人员一直在使用新兴技术开发各种创新的信息系统和软件工具。代谢物分析是生物信息学研究人员积极开发各种创新方法和软件工具的领域之一。代谢物是代谢的中间产物和终产物，是生物体内维持生命的化学反应的集合。通过提供观察代谢活动的直接方式，准确和完整地鉴定代谢物可以推动许多医学科学和生物信息学领域。串联质谱 (MS/MS) 数据的分析一直是生物信息学中的一项长期计算挑战。