AI3SD Intern Project: Predicting IUPAC names of inorganic compounds with deep learning

Published date: 25 September 2021

Additional Information: Thomas Allam: 3rd Year Chemistry student at the University of Southampton. Recently completed a 3rd year project with Professor Jeremy Frey, learning about how to apply my chemical knowledge to modelling and curating datasets of Henry’s law as well as intrinsic solubility constants. I am looking forward to improving my python, reporting and general analytical skills over the course of the internship. I also look forward to learning more about how these skills can be applied to areas of work beyond degree level. Simon Coles: Simon Coles is Professor of Structural Chemistry and Director of both the UK National Crystallography Service and the UK Physical Sciences Data-science Service. Simon obtained his BSc and PhD in structural systematics and molecular modelling at the University of Wales, Cardiff in 1992 and 1997 respectively. He held a Postdoctoral appointment with the Royal Institution, but based at the CCLRC Daresbury Laboratory, where he helped build the highly successful Small Molecule Single Crystal beamline, 9.8. In 1998 Simon moved to Southampton to establish a new laboratory and manage the National Crystallography Service. Simon transferred to Chemistry staff in July 2009, when he took over the role of Director of the National Crystallography Service. During the last 20 years he has been awarded a number of grants in the areas of Structural Chemistry, Information Management, eResearch and eLearning. He also became the Director of the UK Physical Sciences Data-science Service in 2019. Simon is an author on around 900 papers covering the areas of structural chemistry, support for chemical synthesis and chemical information and is one of the most prolific chemical crystallographers of all time (measured by number of contributions to the Cambridge Structural Database). He has served on many national and international facilities and professional society bodies and currently sits on the Editorial Boards of Crystallography Reviews and Supramolecular Chemistry.

Local EPrints ID: 452281

URI: http://eprints.soton.ac.uk/id/eprint/452281

DOI: doi:10.5258/SOTON/AI3SD0148

PURE UUID: b1215abb-aed2-4e3c-a739-4e323e1e7d4c

ORCID for Simon J. Coles: orcid.org/0000-0001-8414-9272

ORCID for Samantha Kanza: orcid.org/0000-0002-4831-9489

ORCID for Nicola Knight: orcid.org/0000-0001-8286-3835

Date deposited: 03 Dec 2021 17:30

Last modified: 17 Mar 2024 03:57