title: Targeting the untargeted in molecular phenomics with structurally-selective ion mobility-mass spectrometry.
abstract: Systems-wide molecular phenomics is rapidly expanding through technological advances in instrumentation and bioinformatics. Strategies such as structural mass spectrometry, which utilizes size and shape measurements with molecular weight, serve to characterize the sum of molecular expression in biological contexts, where broad-scale measurements are made that are interpreted through big data statistical techniques to reveal underlying patterns corresponding to phenotype. The data density, data dimensionality, data projection, and data interrogation are all critical aspects of these approaches to turn data into salient information. Untargeted molecular phenomics is already having a dramatic impact in discovery science from drug discovery to synthetic biology. It is evident that these emerging techniques will integrate closely in broad efforts aimed at precision medicine.
authors.affiliation: Department of Chemistry, Center for Innovative Technology, Vanderbilt Institute of Chemical Biology, Vanderbilt Institute for Integrative Biosystems Research and Education, Vanderbilt University, Nashville, TN 37235, USA.
authors.forename: Jody Christopher
authors.initials: JC
authors.lastname: May
authors.affiliation: Department of Chemistry, Center for Innovative Technology, Vanderbilt Institute of Chemical Biology, Vanderbilt Institute for Integrative Biosystems Research and Education, Vanderbilt University, Nashville, TN 37235, USA.
authors.forename: Randi Lee
authors.initials: RL
authors.lastname: Gant-Branum
authors.affiliation: Department of Chemistry, Center for Innovative Technology, Vanderbilt Institute of Chemical Biology, Vanderbilt Institute for Integrative Biosystems Research and Education, Vanderbilt University, Nashville, TN 37235, USA. Electronic address: john.a.mclean@vanderbilt.edu.
authors.forename: John Allen
authors.initials: JA
authors.lastname: McLean
mesh_terms: D000818:Animals; D002468:Cell Physiological Phenomena; D019295:Computational Biology / Q000379:methods*; D055808:Drug Discovery; D006801:Humans; D013058:Mass Spectrometry / Q000379:methods*; D010641:Phenotype