K-OPLS package: Kernel-based orthogonal projections to latent structures for prediction and interpretation in feature space. - Max Bylesjö; Mattias Rantalainen; Jeremy K. Nicholson; Elaine Holmes; Johan Trygg (BMC Bioinform., 2008)

Piecewise multivariate modelling of sequential metabolic profiling data. - Mattias Rantalainen; Olivier Cloarec; Timothy M. D. Ebbels; Torbjörn Lundstedt; Jeremy K. Nicholson; Elaine Holmes; Johan Trygg (BMC Bioinform., 2008)

Genetic algorithms for simultaneous variable and sample selection in metabonomics. - Rachel Cavill; Hector C. Keun; Elaine Holmes; John C. Lindon; Jeremy K. Nicholson; Timothy M. D. Ebbels (Bioinform., 2009)

MetaboNetworks, an interactive Matlab-based toolbox for creating, customizing and exploring sub-networks from KEGG. - Joram M. Posma; Steven L. Robinette; Elaine Holmes; Jeremy K. Nicholson (Bioinform., 2014)

Strategy for improved characterization of human metabolic phenotypes using a COmbined Multi-block Principal components Analysis with Statistical Spectroscopy (COMPASS). - Ruey Leng Loo; Queenie Chan; Henrik Antti; Jia V. Li; Hutan Ashrafian; Paul Elliott; Jeremiah Stamler; Jeremy K. Nicholson; Elaine Holmes; Julien Wist (Bioinform., 2021)