Project overview
The Comb-e-Chem e-science project sought to provide an end-to-end knowledge pipeline for chemical data and information from laboratory creation to literature re-use by bringing the state-of-the-art in Computer Science to the workplace of chemistry researchers.The overall aim was to show what could be done and to influence thinking in the area. As a result of its work, new ideas and challenges have emerged consistent with the original aims. The interdisciplinary team of computer scientists, chemists and statisticians, now strengthened and expanded, seeks the support of a Platform Grant to maintain and develop its unique identity and to address new ideas and challenges that have emerged within the wider area of integrated chemical informatics. This will allow us the flexibility to respond rapidly to new developments in the field, for example, with pilot projects to pump prime new funding in the areas such as the smart Laboratory, automation of experimental design and analysis, and the linking of experimental data with calculations and simulations. Overall we will continue to apply the most modern thinking in e-Science to improve the efficiency of knowledge aquisition, dissemination and utilisation using the chemical sciences as an exemplar.
Staff
Lead researchers
Other researchers
Collaborating research institutes, centres and groups
Research outputs
Samantha Kanza, Cerys Willoughby, Nicola Knight, Colin Leonard Bird, Jeremy G. Frey & Simon J. Coles,
2023, Digital Discovery, 2(3), 602-617
DOI: 10.1039/d2dd00121g
Type: article
Cerys Willoughby & Jeremy G. Frey,
2022, Digital Discovery, 2022(3)
DOI: 10.1039/D1DD00046B
Type: article
Jeremy G. Frey,
2021, Patterns, 2(8)
Type: article
Nicola Knight, Samantha Kanza, Donald Cruickshank, William Brocklesby & Jeremy G. Frey,
2020, IEEE Internet of Things Journal, 7(9), 8631-8640
Type: article
Samantha Kanza, Nicholas Gibbins & Jeremy G. Frey,
2019, Journal of Cheminformatics, 11(1)
Type: article
Simon Pearson, David May, Georgios Leontidis, Mark Swainson, Stephen J Brewer, Luc Bidaut, Jeremy G. Frey, Gerard Parr, Roger Maull & Andrea Zisman,
2019, Global Food Security, 20, 145-149
Type: article
Samantha Kanza, Cerys Willoughby, Nicholas Gibbins, Richard J. Whitby, Jeremy Frey, Jana Erjavec, Klemen Zupančič, Matjaž Hren & Katarina Kovač,
2017, Journal of Cheminformatics, 9
Type: article