Quantifying the shifts in physicochemical property space introduced by the metabolism of small organic molecules. - Johannes Kirchmair; Andrew Howlett; Julio E. Peironcely; Daniel S. Murrell; Mark J. Williamson; Samuel E. Adams; Thomas Hankemeier; Leo van Buren; Guus Duchateau; Werner Klaffke; Robert C. Glen (J. Cheminformatics, 2013)

How Do Metabolites Differ from Their Parent Molecules and How Are They Excreted? - Johannes Kirchmair; Andrew Howlett; Julio E. Peironcely; Daniel S. Murrell; Mark J. Williamson; Samuel E. Adams; Thomas Hankemeier; Leo van Buren; Guus Duchateau; Werner Klaffke; Robert C. Glen (J. Chem. Inf. Model., 2013)

Proteochemometric modeling in a Bayesian framework. - Isidro Cortes-Ciriano; Gerard J. P. van Westen; Eelke B. Lenselink; Daniel S. Murrell; Andreas Bender 002; Thérèse E. Malliavin (J. Cheminformatics, 2014)

Applications of proteochemometrics - from species extrapolation to cell line sensitivity modelling. - Isidro Cortes-Ciriano; Gerard J. P. van Westen; Daniel S. Murrell; Eelke B. Lenselink; Andreas Bender 002; Therese E. Malliavin (BMC Bioinform., 2015)

Prediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling. - Isidro Cortes-Ciriano; Daniel S. Murrell; Gerard J. P. van Westen; Andreas Bender 002; Thérèse E. Malliavin (J. Cheminformatics, 2015)

Chemically Aware Model Builder (camb): an R package for property and bioactivity modelling of small molecules. - Daniel S. Murrell; Isidro Cortes-Ciriano; Gerard J. P. van Westen; Ian Stott; Andreas Bender 002; Thérèse E. Malliavin; Robert C. Glen (J. Cheminformatics, 2015)