Charge Prediction of Lipid Fragments in Mass Spectrometry

Schrom, B.,Kangas, L.,Ginovska, B.,Metz, T.

ICMLA), 2011 10th International Conference（2011）

引用 1|浏览1

暂无评分

摘要

An artificial neural network is developed for predicting which fragment is charged and which fragment is neutral for lipid fragment pairs produced from a liquid chromatography tandem mass spectrometry simulation process. This charge predictor is integrated into software developed at PNNL for in silico spectra generation and identification of metabolites known as Met ISIS. To test the effect of including charge prediction in Met ISIS, 46 lipids are used which show a reduction in false positive identifications when the charge predictor is utilized.

查看译文

关键词

biology computing,chromatography,mass spectra,molecular biophysics,neural nets,software engineering,Met ISIS,PNNL,artificial neural network,charge prediction,charge predictor,false positive identifications,in silico spectra generation,lipid fragment pairs,lipid fragments,lipids,liquid chromatography tandem mass spectrometry simulation process,metabolites identification,artificial neural network,lipid,machine learning,mass spectrometry

AI 理解论文

溯源树

样例

生成溯源树，研究论文发展脉络

Chat Paper

正在生成论文摘要