A novel untargeted metabolomics correlation-based network analysis incorporating human metabolic reconstructions. - Helen L. Kotze; Emily G. Armitage; Kieran J. Sharkey; James William Allwood; Warwick B. Dunn; Kaye J. Williams; Royston Goodacre (BMC Syst. Biol., 2013)

HAMMER: automated operation of mass frontier to construct in silico mass spectral fragmentation libraries. - Jiarui Zhou; Ralf J. M. Weber; James William Allwood; Robert Mistrik; Zexuan Zhu; Zhen Ji; Siping Chen; Warwick B. Dunn; Shan He 001; Mark R. Viant (Bioinform., 2014)

MUSCLE: automated multi-objective evolutionary optimization of targeted LC-MS/MS analysis. - James Bradbury 001; Grégory Genta-Jouve; James William Allwood; Warwick B. Dunn; Royston Goodacre; Joshua D. Knowles; Shan He 001; Mark R. Viant (Bioinform., 2015)