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Research project

From Lab to Literature and back

Staff

Lead researcher

Professor Jeremy Frey

Professor of Physical Chemistry
Other researchers

Professor Jonathan Essex

Professor

Professor Mike Surridge

Professorial Fellow Information Tech

Research interests

  • Computer Networks Security
  • Automated cyber security risk assessment and management

Emeritus Professor Susan Lewis

Professor Dave Woods

Professor of Statistics

Research interests

  • Design of experiments
  • Bayesian statistics
  • Statistical computing

Professor Sujit Sahu

Professor of Statistics

Research interests

  • Applied Bayesian modelling
  • Bayesian computation
  • Spatio-temporal data modelling

Collaborating research institutes, centres and groups

Computational Systems Chemistry

Our research covers a broad range of domains from nanoscale materials properties, atmospheric chemistry, through to biological systems.

Research outputs

The value of the semantic web in the laboratory
Jeremy G. Frey
, 2009 , Drug Discovery Today , 14 (11-12) , 522--561
DOI: 10.1016/j.drudis.2009.03.007
Type: article
Classification of water molecules in protein binding sites
Caterina Barillari,
Justine Taylor,
Russell Viner,
& Jonathan W. Essex
, 2007 , Journal of the American Chemical Society , 129 (9) , 2577--2587
DOI: 10.1021/ja066980q
Type: article
A computer-aided drug discovery system for chemistry teaching
Robert Gledhill,
Sarah Kent,
Brian Hudson,
W. Graham Richards,
Jonathan W. Essex,
& Jeremy G. Frey
, 2006 , Journal of Chemical Information and Modeling , 46 (3) , 960--970
DOI: 10.1021/ci050383q
Type: article
The semantic grid and chemistry: experiences with CombeChem
Kieron Taylor,
J.W. Essex,
Jeremy G. Frey,
H.R. Mills,
G. Hughes,
& E.J. Zaluska
, 2006 , Web Semantics , 4 (2) , 84--101
DOI: 10.1016/j.websem.2006.03.003
Type: article
Bringing chemical data onto the semantic web
Kieron R. Taylor,
Robert Gledhill,
Jonathan W. Essex,
Jeremy G. Frey,
S.W. Harris,
& Dave C. De Roure
, 2006 , Journal of Chemical Information and Modeling , 46 (3) , 939--952
DOI: 10.1021/ci050378m
Type: article