View all research projects
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

AI3SD Video: Audacity of huge: machine learning for the discovery of transition metal catalysts and materials
Heather Kulik, Jeremy G. Frey, Samantha Kanza & Mahesan Niranjan, 2021
DOI: 10.5258/SOTON/AI3SD0172
Type: conference
AI3SD Series: Failed it to Nailed it!
Samantha Kanza, Nicola Knight, Jeremy G. Frey, Simon J. Coles & Sarah Callaghan, 2021
DOI: 10.5258/SOTON/AI3SD0270
Type: conference
AI3SD Video: Chemical space exploration
Jan Jansen, Jeremy G. Frey, Samantha Kanza & Mahesan Niranjan, 2021
DOI: 10.5258/SOTON/AI3SD0170
Type: conference
AI3SD Video: Hyperparameter optimisation for graph neural networks
Yingfang (James) Yuan, Jeremy G. Frey, Samantha Kanza & Mahesan Niranjan, 2021
DOI: 10.5258/SOTON/AI3SD0171
Type: conference
AI3SD Video: A vision of medicinal chemistry for the future
Lewis Vidler, Jeremy G. Frey, Samantha Kanza & Mahesan Niranjan, 2021
DOI: 10.5258/SOTON/AI3SD0167
Type: conference
AI3SD Video: The universal digital twin – accessing the world of chemistry
Markus Kraft, Jeremy G. Frey, Samantha Kanza & Mahesan Niranjan, 2021
DOI: 10.5258/SOTON/AI3SD0169
Type: conference
AI3SD Video: What a medicinal chemist needs to know about explainable artificial intelligence
Alexander G. Dossetter, Jeremy G. Frey, Samantha Kanza & Mahesan Niranjan, 2021
DOI: 10.5258/SOTON/AI3SD0168
Type: conference