Daniel S. Murrell

According to our database, Daniel S. Murrell authored at least 6 papers between 2013 and 2015.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

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, Thérèse E. Malliavin, Robert C. Glen

J. Cheminformatics, 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, Thérèse E. Malliavin

J. Cheminformatics, 2015

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, Therese E. Malliavin

BMC Bioinform., 2015

2014

Proteochemometric modeling in a Bayesian framework.

Isidro Cortes-Ciriano, Gerard J. P. van Westen, Eelke B. Lenselink, Daniel S. Murrell, Andreas Bender, Thérèse E. Malliavin

J. Cheminformatics, 2014

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

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