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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

Scientific and technical data sharing: a trading perspective
Jeremy G. Frey,
& Colin L. Bird
, 2014 , Journal of Computer-Aided Molecular Design , 28 (10) , 989--996
DOI: 10.1007/s10822-014-9785-4
Type: article
A vision and a necessity for the 21st century
Jeremy G. Frey
, 2014 , Chemistry International , 36 (1)
DOI: 10.1515/ci.2014.36.1.14
Type: article
Cheminformatics and the Semantic Web: adding value with linked data and enhanced provenance
Jeremy G. Frey,
& Colin Bird
, 2013 , Wiley Interdisciplinary Reviews: Computational Molecular Science , 3 (5) , 465--481
DOI: 10.1002/wcms.1127
Type: article
LabTrove: a lightweight, web based, laboratory “blog” as a route towards a marked up record of work in a bioscience research laboratory
Neil R. Smalheiser,
Andrew J. Milsted,
Jennifer R. Hale,
Jeremy G. Frey,
& Cameron Neylon
, 2013 , PLoS ONE , 8 (7) , e67460--[18pp]
DOI: 10.1371/journal.pone.0067460
Type: article
Chemical information matters: an e-Research perspective on information and data sharing in the chemical sciences
Colin Bird,
& Jeremy G. Frey
, 2013 , Chemical Society Reviews , 42 (16) , 6754--6775
DOI: 10.1039/C3CS60050E
Type: article