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

10th February 2021 @ 2:00 pm - 4:45 pm


Eventbrite Link: https://ai3sd-winter-series-100221.eventbrite.co.uk

This seminar forms part of the AI3SD Online Seminar Series that will run across the winter (from November 2020 to April 2021). This seminar will be run via zoom, when you register on Eventbrite you will receive a zoom registration email alongside your standard Eventbrite registration email. Where speakers have given permission to be recorded, their talks will be made available on our AI3SD YouTube Channel. The theme for this seminar is Semantic Web Technologies in Chemistry.


  • 14:00-14:45: Semantic Web in Scientific Research – Possibilities & Practices – Dr Samantha Kanza (University of Southampton)
  • 14:45-15:00: Coffee Break
  • 15:00-15:45: Ontologies, Natural Language, Annotation and Chemistry – Dr Colin Batchelor (Royal Society of Chemistry)
  • 15:45-16:00: Coffee Break
  • 16:00-16:45: H2020 Project Onto Trans – Dr Alexandra Simperler (Goldbeck Consulting)

Abstracts & Speaker Bios

  • Semantic Web in Scientific Research – Possibilities & Practices – Dr Samantha Kanza: The use of semantic web technologies within scientific research has slowly gained momentum over the last twenty years. Researchers have realised that these technologies are key to dealing with large volumes of data, and that they enable better organisation of scientific documents and practices. However, we still have a long way to go before these technologies realise their true potential, and this is as much a human endeavour as a technological one. This talk will discuss the affordances of the semantic web, demonstrating where it can be used across the entire scientific research process; but it will also note some lessons learned throughout the last twenty years, and provide some recommendations for going forward in the future.
    Bio: 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.
  • Ontologies, Natural Language, Annotation and Chemistry – Dr Colin Batchelor: Ontologies have a wide range of uses beyond the semantic web. If you have had a productive conversation with an intelligent assistant such as Siri or Alexa, then you have used an ontology, perhaps without realising it. In this talk I talk about some of the varied ways ontologies are used in practice and what we’ve done at the Royal Society of Chemistry.
    Bio: 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.
  • H2020 Project Onto Trans – Dr Alexandra Simperler: The OntoTrans project responds to the need of industry to respond to manufacturing challenges more efficiently by accessing the relevant information and utilising materials modelling more effectively. In particular, there is a need to strengthen the use of translation as a router supporting end users to get to relevant data and models. OntoTrans will provide a general-purpose ontology-based Open Translation Environment (OTE) and End User Apps for four innovation challenges, delivering smart guidance for materials producers and product manufacturers through all the steps of the translation process.
    Bio: 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 Britain and 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 College London 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.


10th February 2021
2:00 pm - 4:45 pm
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