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Dr Nathan Brown

Senior Researcher

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Dr Nathan Brown left the ICR in September 2017. He joined the ICR in 2007 and led the In Silico Medicinal Chemistry Team in the Cancer Research UK Cancer Therapeutics Unit. The team supports the activities of more than 50 PhD medicinal chemists working towards novel cancer treatments.
T +44 20 8722 4033

Biography and research overview

Dr Nathan Brown holds an honours degree in computing from Robert Gordon University in Aberdeen. He conducted his doctoral research under Professor Peter Willett at the University of Sheffield and Dr Richard Lewis, then Head of Computer-Aided Drug Discovery at Eli Lilly & Co.

On completing his doctoral research, he was awarded a Marie Curie Fellowship for two years working with Avantium in Amsterdam and Professor Johnny Gasteiger at the University of Erlangen-Nuremberg. He was subsequently one of the first to be awarded a prestigious Presidential Research Fellowship for three years, by Professor Mark Fishman, Global Head of Research at the Novartis Institutes for BioMedical Research.

Dr Brown has extensive experience as a software designer and developer in many different programming languages. He has developed many novel algorithms to maximise the impact of the experimental data generated in medicinal chemistry and cancer biology. Dr Brown designed and implemented the first multiobjective de novo design algorithm, published in 2004.

His primary research interests are virtual ligand docking, de novo molecular design, multiobjective optimisation, molecular descriptors, predictive modelling, statistical learning, graph theory, machine learning, evolutionary algorithms, artificial life, molecular similarity and diversity, bioisosteric replacement and scaffold hopping.

Dr Brown is on the editorial board of Advances in Drug Discovery and Development, and Frontiers in Chemistry: Theoretical and Computational Chemistry. He is also on the committees of the UK-QSAR and Chemoinformatics Group and the Chemical Information and Computer Applications Group of The Royal Society of Chemistry.

He has published more than 40 papers and book chapters, and has edited two books: Bioisosteres in Medicinal Chemistry and Scaffold Hopping in Medicinal Chemistry. He is currently writing his third book, In Silico Medicinal Chemistry, for the Royal Society of Chemistry.

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