Discovery publications

Network-driven drug discovery

Whitmore, A.V. & Wray, J. (2019). Drug Target Review, Spring 2019, (01), 46-48.


Networks for better drug discovery: making optimal use of existing chemical space

Whitmore, A.V. & Wray, J. (2018). Future Med. CHem. 10(21), 2497-2499. 


A Complex System

Wray, J. (2017). European Biopharmaceutical Review, April 2017, 28-32. © Samedan Ltd. 



A nonparametric significance test for sampled networks

Elliot, A., Leicht, E., Whitmore, A., Reinert, G. & Reed-Tsochas, F. (2018). Bioinformatics, 34(1), 64-71.



Protein-protein interaction networks identify target which rescue a cellular model of Parkinson's disease

Keane, H., Ryan, B.J., Jackson, B., Whitmore, A. & Wade-Martins, R. (2015). Scientific Reports, 5:17004.



Drug molecules and biology: Network and systems aspects.

Young, M., Zimmer, S., & Whitmore, A. (2012). Designing multi-target drugs. Royal Society of Chemistry, Cambridge, UK, 32-49.


From in silico target prediction to multi-target drug design: current databases, methods and applications.

Koutsoukas, A., Simms, B., Kirchmair, J., Bond, P. J., Whitmore, A. V., Zimmer, S., Young, M.P., Jenkins, J.L., Glen, R.C. & Bender, A. (2011). Journal of Proteomics, 74(12), 2554-2574.



See also

Reaxys interview and case study with Jonny Wray. 

Discussing e-therapeutics' approach to drug discovery.



Networking for new drugs. 

Ainsworth, C. (2011). Nature medicine17(10), 1166-1168.