Cheminformatics Research at the Unilever Centre for Molecular Science Informatics Cambridge

Por Fuchs, Julian E, Bender, Andreas, Glen, Robert C
Publicado no Mol Inform (2015)

Predicting Phospholipidosis Using Machine Learning

Por Lowe, Robert, Glen, Robert C., Mitchell, John B. O.
Publicado em 2010

Probabilistic classifier: generated using randomised sub-sampling of the feature space

Por Tyzack, Jonathan D, Mussa, Hamse Y, Glen, Robert C
Publicado em 2012

Full “Laplacianised” posterior naive Bayesian algorithm

Por Mussa, Hamse Y, Mitchell, John BO, Glen, Robert C
Publicado em 2013

Winnow based identification of potent hERG inhibitors in silico: comparative assessment on different datasets

Por Marchese Robinson, Richard L, Glen, Robert C, Mitchell, John BO
Publicado em 2012

A note on utilising binary features as ligand descriptors

Por Mussa, Hamse Y., Mitchell, John B. O., Glen, Robert C.
Publicado no J Cheminform (2015)

Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse

Por Glen Robert C, Adams Samuel, Spjuth Ola, Carlsson Lars, Boyer Scott
Publicado em 2010-07-01

Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse

Por Carlsson, Lars, Spjuth, Ola, Adams, Samuel, Glen, Robert C, Boyer, Scott
Publicado em 2010

Relating GPCRs pharmacological space based on ligands chemical similarities

Por Koutsoukas, Alexios, Torella, Rubben, Drakakis, George, Bender, Andreas, Glen, Robert C
Publicado em 2013

Annotating targets with pathways: extending approaches to mode of action analysis

Por Liggi, Sonia, Koutsoukas, Alexios, Motamedi, Yasaman Kalantar, Glen, Robert C, Bender, Andreas
Publicado em 2013

Verifying the fully “Laplacianised” posterior Naïve Bayesian approach and more

Por Mussa, Hamse Y, Marcus, David, Mitchell, John B O, Glen, Robert C
Publicado no J Cheminform (2015)

Predicting the mechanism of phospholipidosis

Por Lowe, Robert, Mussa, Hamse Y, Nigsch, Florian, Glen, Robert C, Mitchell, John BO
Publicado em 2012

Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers

Por Tyzack, Jonathan D, Mussa, Hamse Y, Williamson, Mark J, Kirchmair, Johannes, Glen, Robert C
Publicado em 2014

A multi-label approach to target prediction taking ligand promiscuity into account

Por Afzal, Avid M, Mussa, Hamse Y, Turner, Richard E, Bender, Andreas, Glen, Robert C
Publicado no J Cheminform (2015)

Linking Ayurveda and Western medicine by integrative analysis

Por Fauzi, Fazlin Mohd, Koutsoukas, Alexios, Lowe, Robert, Joshi, Kalpana, Fan, Tai-Ping, Glen, Robert C., Bender, Andreas
Publicado em 2013

Metrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modeling

Por Mak, Lora, Marcus, David, Howlett, Andrew, Yarova, Galina, Duchateau, Guus, Klaffke, Werner, Bender, Andreas, Glen, Robert C
Publicado no J Cheminform (2015)

Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms

Por Kirchmair, Johannes, Williamson, Mark J., Tyzack, Jonathan D., Tan, Lu, Bond, Peter J., Bender, Andreas, Glen, Robert C.
Publicado em 2012

Microbiome–host systems interactions: protective effects of propionate upon the blood–brain barrier

Por Hoyles, Lesley, Snelling, Tom, Umlai, Umm-Kulthum, Nicholson, Jeremy K., Carding, Simon R., Glen, Robert C., McArthur, Simon
Publicado no Microbiome (2018)

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 no Toxicol Res (Camb) (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 no J Cheminform (2015)