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Research project

Artificial and Augmented Intelligence for Automated Scientific Discovery

Staff

Lead researchers

Professor Jeremy Frey

Professor of Physical Chemistry
Connect with Jeremy

Email: [email protected]

Other researchers

Professor Mahesan Niranjan

ISIS Chair
Connect with Mahesan

Email: [email protected]

Collaborating research institutes, centres and groups

Research outputs

Taking FAIR on the ChIN: The Chemistry Implementation Network
Simon J. Coles, Jeremy G. Frey, Egon Willighagen & Stuart J. Chalk, 2019, Data Intelligence Journal
DOI: 10.1162/dint_a_00035
Type: article
ISTCP 2019: 10th Triennial Congress of the International Society for Theoretical Chemical Physics
Samantha Kanza, Jeremy G. Frey & Grant Hill, 2019
DOI: 10.5258/SOTON/P0016
Type: report
AI & ML in Chemical Discovery & Development
Samantha Kanza, Jeremy G. Frey, Richard J. Whitby, GILLIAN SMITH & Bao Nguyen, 2019
DOI: 10.5258/SOTON/P0017
Type: report
A new topological descriptor for water network structure
Lee Steinberg, Jeremy G. Frey & John Russo, 2019, Journal of Cheminformatics, 11(48), 1-11
DOI: 10.1186/s13321-019-0369-0
Type: article
AI3SD & MDC AI in Drug Discovery & Drug Safety Workshop Report 2019 
Samantha Kanza, Wendy Warr & Jeremy G. Frey, 2019
DOI: 10.5258/SOTON/P0008
Type: report