S
Simon Rogers
Researcher at University of Glasgow
Publications - 139
Citations - 4574
Simon Rogers is an academic researcher from University of Glasgow. The author has contributed to research in topics: Metabolomics & Inference. The author has an hindex of 28, co-authored 134 publications receiving 3306 citations. Previous affiliations of Simon Rogers include Liverpool John Moores University & University of Cambridge.
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Journal ArticleDOI
Feature-based molecular networking in the GNPS analysis environment.
Louis-Félix Nothias,Louis-Félix Nothias,Daniel Petras,Daniel Petras,Robin Schmid,Kai Dührkop,Johannes Rainer,Abinesh Sarvepalli,Abinesh Sarvepalli,Ivan Protsyuk,Madeleine Ernst,Madeleine Ernst,Madeleine Ernst,Hiroshi Tsugawa,Markus Fleischauer,Fabian Aicheler,Alexander A. Aksenov,Alexander A. Aksenov,Oliver Alka,Pierre-Marie Allard,Aiko Barsch,Xavier Cachet,Andrés Mauricio Caraballo-Rodríguez,Andrés Mauricio Caraballo-Rodríguez,Ricardo Silva,Ricardo Silva,Tam Dang,Tam Dang,Neha Garg,Julia M. Gauglitz,Julia M. Gauglitz,Alexey Gurevich,Giorgis Isaac,Alan K. Jarmusch,Alan K. Jarmusch,Zdeněk Kameník,Kyo Bin Kang,Kyo Bin Kang,Kyo Bin Kang,Nikolas Kessler,Irina Koester,Irina Koester,Ansgar Korf,Audrey Le Gouellec,Marcus Ludwig,Christian Martin H,Laura-Isobel McCall,Jonathan McSayles,Sven W. Meyer,Hosein Mohimani,Mustafa Morsy,Oriane Moyne,Oriane Moyne,Steffen Neumann,Heiko Neuweger,Ngoc Hung Nguyen,Ngoc Hung Nguyen,Mélissa Nothias-Esposito,Mélissa Nothias-Esposito,Julien Paolini,Vanessa V. Phelan,Tomáš Pluskal,Robert A. Quinn,Simon Rogers,Bindesh Shrestha,Anupriya Tripathi,Anupriya Tripathi,Justin J. J. van der Hooft,Justin J. J. van der Hooft,Justin J. J. van der Hooft,Fernando Vargas,Fernando Vargas,Kelly C. Weldon,Kelly C. Weldon,Michael Witting,Heejung Yang,Zheng Zhang,Zheng Zhang,Florian Zubeil,Oliver Kohlbacher,Sebastian Böcker,Theodore Alexandrov,Theodore Alexandrov,Nuno Bandeira,Nuno Bandeira,Mingxun Wang,Mingxun Wang,Pieter C. Dorrestein +87 more
TL;DR: Feature-based molecular networking (FBMN) as discussed by the authors is an analysis method in the Global Natural Products Social Molecular Networking (GNPS) infrastructure that builds on chromatographic feature detection and alignment tools.
Journal ArticleDOI
Estimating dataset size requirements for classifying DNA microarray data.
Sayan Mukherjee,Pablo Tamayo,Simon Rogers,Ryan Rifkin,Anna Engle,Colin Campbell,Todd R. Golub,Jill P. Mesirov +7 more
TL;DR: A statistical methodology for estimating dataset size requirements for classifying microarray data using learning curves is introduced, based on fitting inverse power-law models to construct empirical learning curves.
Journal ArticleDOI
Topic modeling for untargeted substructure exploration in metabolomics
TL;DR: An analytical workflow that exploits all fragmentation data from a given experiment to extract biochemically relevant features in an unsupervised manner is presented and it is demonstrated that an algorithm originally used for text mining, latent Dirichlet allocation, can be adapted to handle metabolomics datasets.
Journal ArticleDOI
Variational Bayesian multinomial probit regression with Gaussian process priors
Mark Girolami,Simon Rogers +1 more
TL;DR: This is the first time that a fully variational Bayesian treatment for multiclass GP classification has been developed without having to resort to additional explicit approximations to the nongaussian likelihood term.
Journal ArticleDOI
MolNetEnhancer: Enhanced Molecular Networks by Integrating Metabolome Mining and Annotation Tools
Madeleine Ernst,Madeleine Ernst,Kyo Bin Kang,Kyo Bin Kang,Andrés Mauricio Caraballo-Rodríguez,Louis-Félix Nothias,Joe Wandy,Christopher Chen,Mingxun Wang,Simon Rogers,Marnix H. Medema,Pieter C. Dorrestein,Pieter C. Dorrestein,Justin J. J. van der Hooft,Justin J. J. van der Hooft +14 more
TL;DR: MolNetEnhancer is a useful tool that greatly assists the metabolomics researcher in deciphering the metabolome through combination of multiple independent in silico pipelines.