Data-Driven Drug Discovery and Molecular Informatics

Chad Allen

Publications

Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen.
MP Menden, D Wang, MJ Mason, B Szalai, KC Bulusu, Y Guan, T Yu, J Kang, M Jeon, R Wolfinger, T Nguyen, M Zaslavskiy, AstraZeneca-Sanger Drug Combination DREAM Consortium, IS Jang, Z Ghazoui, ME Ahsen, R Vogel, EC Neto, T Norman, EKY Tang, MJ Garnett, GYD Veroli, S Fawell, G Stolovitzky, J Guinney, JR Dry, J Saez-Rodriguez
Nature communications
(2019)
10
(doi: 10.1038/s41467-019-09799-2)
Leveraging heterogeneous data from GHS toxicity annotations, molecular and protein target descriptors and Tox21 assay readouts to predict and rationalise acute toxicity
CHG Allen, LH Mervin, SY Mahmoud, A Bender
Journal of cheminformatics
(2019)
11
(doi: 10.1186/s13321-019-0356-5)
Improving the prediction of organism-level toxicity through integration of chemical, protein target and cytotoxicity qHTS data†
CHG Allen, A Koutsoukas, I Cortés-Ciriano, DS Murrell, TE Malliavin, RC Glen, A Bender
Toxicol Res (Camb)
(2016)
5
(doi: 10.1039/c5tx00406c)
International chemical identifier for reactions (RInChI) Dr Antony Williams
G Grethe, JM Goodman, CH Allen
Journal of cheminformatics
(2013)
5
(doi: 10.1186/1758-2946-5-45)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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