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Department of Chemistry

 

Publications

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,
36
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
– Nat Commun
(2019)
10,
2674
Improving the prediction of organism-level toxicity through integration of chemical, protein target and cytotoxicity qHTS data.
CHG Allen, A Koutsoukas, I Cort├ęs-Ciriano, DS Murrell, TE Malliavin, RC Glen, A Bender
– Toxicology Research
(2016)
5,
883
International chemical identifier for reactions (RInChI)
G Grethe, JM Goodman, CH Allen
– J Cheminform
(2013)
5,
45

Research Group

Telephone number

01223 763078 (shared)

Email address

chga2@cam.ac.uk