Publications by authors named "Daniel S Murrell"

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Improving the prediction of organism-level toxicity through integration of chemical, protein target and cytotoxicity qHTS data.
Chad H G Allen, Alexios Koutsoukas, Isidro Cortés-Ciriano, Daniel S Murrell, Thérèse E Malliavin

Toxicol Res (Camb)· May 2016

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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 P Stott, Andreas Bender

J Cheminform· August 2015

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Protective immunogenicity of group A streptococcal M-related proteins.
James B Dale, Shannon E Niedermeyer, Tina Agbaosi, Nicholas D Hysmith, Thomas A Penfound, Daniel S Murrell

Clin Vaccine Immunol· March 2015

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Prediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling.
Isidro Cortes-Ciriano, Daniel S Murrell, Gerard Jp van Westen, Andreas Bender, Thérèse E Malliavin

J Cheminform· February 2015

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Proteochemometric modeling in a Bayesian framework.
Isidro Cortes-Ciriano, Gerard Jp van Westen, Eelke Bart Lenselink, Daniel S Murrell, Andreas Bender

J Cheminform· July 2014

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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

J Chem Inf Model· February 2013

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