10/02/2021 – AI3SD Winter Seminar Series: Semantic Web Technologies in Chemistry

10/02/2021 – AI3SD Winter Seminar Series: Semantic Web Technologies in Chemistry

This seminar was the sixth of ten in our AI3SD Winter Seminar Series. This seminar was hosted online via a zoom webinar. The event was themed around Semantic Web Technologies in Chemistry, and consisted of two talks on this subject. Below are the three videos of the talks with speaker biographies, and the full playlist of this seminar can be found here.

Semantic Web in Scientific Research – Possibilities & Practices – Dr Samantha Kanza (University of Southampton)

Samantha Kanza is an Enterprise Fellow at the University of Southampton. She completed her MEng in Computer Science at the University of Southampton and then worked for BAE Systems Applied Intelligence for a year before returning to do an iPhD in Web Science (in Computer Science and Chemistry), which focused on Semantic Tagging of Scientific Documents and Electronic Lab Notebooks. She was awarded her PhD in April 2018. Samantha works in the interdisciplinary research area of applying computer science techniques to the scientific domain, specifically through the use of semantic web technologies and artificial intelligence. Her research includes looking at electronic lab notebooks and smart laboratories, to improve the digitization and knowledge management of the scientific record using semantic web technologies; and using IoT devices in the laboratory. She has also worked on a number of interdisciplinary Semantic Web projects in different domains, including agriculture, chemistry and the social sciences.

DOI Link


Ontologies, Natural Language, Annotation and Chemistry – Dr Colin Batchelor (Royal Society of Chemistry)

Colin Batchelor is a Senior Data Scientist at the Royal Society of Chemistry. After doctoral work in theoretical chemistry with Mark Child at Oxford he was a technical editor at the RSC before a succession of roles working on, amongst other things, natural language processing, cheminformatics, machine learning and ontologies. He is currently the chair of the InChI working group on organometallic and coordination structures.

DOI Link


H2020 Project Onto Trans – Dr Alexandra Simperler (Goldbeck Consulting)

Dr Alexandra Simperler received her PhD in Chemistry from University of Vienna in 1999. She heldresearch associate positions using electronic and atomistic models at the Royal Institution of Great Britainand University of Cambridge. She spent five years in application software training at Accelrys/Biovia inCambridge, UK. She then joined the NSCCS (http://www.nsccs.ac.uk/about.php) at Imperial CollegeLondon and enabled UK based academics to become proficient in using electronic and atomistic modelling.She has co-authored 40 scientific papers, case studies and reports. In 2017, she formed Simperler Consulting and provides various services around Materials Modelling together with Goldbeck Consulting.

DOI Link