Discovering General Multidimensional Associations

por Murrell, Ben, Murrell, Daniel, Murrell, Hugh
Publicado 2016

Prediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling

por Cortes-Ciriano, Isidro, Murrell, Daniel S, van Westen, Gerard JP, Bender, Andreas, Malliavin, Thérèse E
Publicado 2015

Proteochemometric modeling in a Bayesian framework

por Cortes-Ciriano, Isidro, van Westen, Gerard JP, Lenselink, Eelke Bart, Murrell, Daniel S, Bender, Andreas, Malliavin, Thérèse
Publicado 2014

Applications of proteochemometrics - from species extrapolation to cell line sensitivity modelling

por Cortes-Ciriano, Isidro, van Westen, Gerard JP, Murrell, Daniel S, Lenselink, Eelke B, Bender, Andreas, Malliavin, Therese E
Publicado 2015

Improving the prediction of organism-level toxicity through integration of chemical, protein target and cytotoxicity qHTS data

por Allen, Chad H. G., Koutsoukas, Alexios, Cortés-Ciriano, Isidro, Murrell, Daniel S., Malliavin, Thérèse E., Glen, Robert C., Bender, Andreas
Publicado 2016

Chemically Aware Model Builder (camb): an R package for property and bioactivity modelling of small molecules

por Murrell, Daniel S, Cortes-Ciriano, Isidro, van Westen, Gerard J P, Stott, Ian P, Bender, Andreas, Malliavin, Thérèse E, Glen, Robert C
Publicado 2015

Quantifying the shifts in physicochemical property space introduced by the metabolism of small organic molecules

por Kirchmair, Johannes, Howlett, Andrew, Peironcely, Julio, Murrell, Daniel S, Williamson, Mark, Adams, Samuel E, Hankemeier, Thomas, van Buren, Leo, Duchateau, Guus, Klaffke, Werner, Glen, Robert C
Publicado 2013