QSRR Automator: A Tool for Automating Retention Time Prediction in Lipidomics and Metabolomics

The use of retention time is often critical for the identification of compounds in metabolomic and lipidomic studies. Standards are frequently unavailable for the retention time measurement of many metabolites, thus the ability to predict retention time for these compounds is highly valuable. A numb...

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Bibliographic Details
Main Authors: Bradley C. Naylor, J. Leon Catrow, J. Alan Maschek, James E. Cox
Format: Article
Language:English
Published: MDPI AG 2020-06-01
Series:Metabolites
Subjects:
Online Access:https://www.mdpi.com/2218-1989/10/6/237