NIST公司
化学
质谱法
串联质谱法
注释
色谱法
数据库搜索引擎
质谱
计算机科学
情报检索
搜索引擎
人工智能
自然语言处理
作者
Tobias Kind,Hiroshi Tsugawa,Tomáš Čajka,Yan Ma,Zijuan Lai,Sajjan S. Mehta,Gert Wohlgemuth,Dinesh Kumar Barupal,Megan R. Showalter,Masanori Arita,Oliver Fiehn
摘要
to perform fast MS/MS search are discussed. MS/MS scoring algorithms and challenges during compound annotation are reviewed. Advanced methods such as the in silico generation of tandem mass spectra using quantum chemistry and machine learning methods are covered. Community efforts for curation and sharing of tandem mass spectra that will allow for faster distribution of scientific discoveries are discussed.
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