Exploring chemical space in non-targeted analysis: a proposed ChemSpace tool
Gabrielle P. Black, Charles N. Lowe, Tarun Anumol, Jessica Bade, Kristin Favela, Yong‐Lai Feng, Ann M. Knolhoff, Andrew D. McEachran, Jamie Nuñez, Christine M. Fisher, Kathy Peter, Natalia Quinete, Jon R. Sobus, Eric M. Sussman, William A. Watson, Samanthi Wickramasekara, Antony Williams, Tom Young
Topics & Concepts
WorkflowChemical spaceAnalyteSample (material)Computer scienceIdentification (biology)Data miningA priori and a posterioriChemistryChromatographyDatabaseDrug discoveryBotanyBiologyEpistemologyBiochemistryPhilosophyMetabolomics and Mass Spectrometry StudiesAnalytical Chemistry and ChromatographyAdvanced Chemical Sensor Technologies