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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: J.G.Frey@soton.ac.uk

Other researchers

Professor Mahesan Niranjan

ISIS Chair
Connect with Mahesan

Email: mn@ecs.soton.ac.uk

Collaborating research institutes, centres and groups

Research outputs

AI4SD Conference Report 2022
Wendy Warr, Samantha Kanza, Jeremy G. Frey & Mahesan Niranjan, 2022
DOI: 10.5258/SOTON/AI3SD0268
Type: report
AI4SD Video: SciData: Semantic representation of scientific data and applications in chemistry
Stuart J. Chalk & Samantha Kanza, 2022
DOI: 10.5258/SOTON/AI3SD0237
Type: conference
A review of reinforcement learning in chemistry
Stephen Gow, Mahesan Niranjan, Samantha Kanza & Jeremy G. Frey, 2022, Digital Discovery, 1(5), 551-567
DOI: 10.1039/D2DD00047D
Type: article
Robustness under parameter and problem domain alterations of Bayesian optimization methods for chemical reactions
Rubaiyat Khondaker, Stephen Gow, Samantha Kanza, Jeremy G. Frey & Mahesan Niranjan, 2022, Journal of Cheminformatics, 14(59)
DOI: 10.1186/s13321-022-00641-4
Type: article
Humans of AI3SD: Markus Kraft
Markus Kraft, Michelle Pauli, Jeremy G. Frey, Samantha Kanza & Mahesan Niranjan, 2022
DOI: 10.5258/SOTON/AI3SD0232
Type: report