Drug Discovery

01/07/2020 – AI3SD Online Seminar Series: Drug Repositioning for COVID-19 – Professor John Overington

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Pandemics, such as Covid-19. are by definition essentially unanticipatable and rapid onset. Features unfortunately incompatible with current industry capabilities in drug discovery. This has led to a large number of studies, both theoretical and experimental to reposition, or reuse an existing drug for Covid-19 therapy. There are some general patterns of success in historical repositioning that point to the most likely strategies for drug repositioning, and also, following some specific data gathering and curation, to point towards specific actionable activities for Covid-19. The presentation will briefly overview drug repositioning as a general strategy, and then the focussed application of core concepts towards the treatment of Covid-19.

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Read more about the article 31/01/2020 – AI3SD, OSM & RSC-CICAG: AI and ML in Drug Discovery: Predicting Bioactive Molecules when there is No Target

31/01/2020 – AI3SD, OSM & RSC-CICAG: AI and ML in Drug Discovery: Predicting Bioactive Molecules when there is No Target

Back in January 2019 AI3SD announced their first funding call. We funded 3 pilot projects, and one of the successful applicants of this funding call was Professor Mat Todd from…

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31/01/2020 – AI3SD, OSM & RSC-CICAG: AI and ML in Drug Discovery: Predicting Bioactive Molecules when there is No Target

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This one-day meeting concerns the application of machine learning/artificial intelligence (ML/AI) approaches to the discovery of new drug leads. Specifically the meeting is about cases where the biological target is not clearly established - so-called phenotypic drug discovery. The meeting centers on a real example - a competition run by Open Source Malaria (OSM), funded by a grant from the EPSRC/AI3SD+ Network. Data on active and inactive compounds in one OSM antimalarial series were published online, and anyone was able to submit a model able to predict the actives. The models were judged against a dataset that was kept private, and the winners were asked to use their models to predict novel molecules. These are currently being made in the lab and biologically evaluated, and the results will be reported at the meeting, providing a real-world test, and a complete case study, of the capabilities of ML/AI approaches to accelerate modern drug discovery. We will hear from some of the eleven competition entrants about how their models were constructed, and will have other presentations on related developments. We hope during this meeting to establish which approaches worked well, which did not, and why. All those interested in the application of ML/AI methods to drug discovery are encouraged to attend. The meeting is free, but there will be a cap on numbers, meaning first come first served, meaning registration is essential. Lunch will be provided as part of this event. GitHub Repository: https://github.com/OpenSourceMalaria/Series4_PredictiveModel

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18-19/11/2019 – AI3SD Network+ Conference – Holiday Inn Winchester & Winchester Science Centre

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We are the AI3SD Network+ (Artificial Intelligence and Augmented Intelligence for Automated Investigations for Scientific Discovery). The network+ is funded by EPSRC and hosted by the University of Southampton and aims to bring together researchers looking to show how cutting edge artificial and augmented intelligence technologies can be used to push the boundaries of scientific discovery. We launched in December 2018, and this conference marks the end of our first year. This is a two day event with a mixture of keynote talks from experts in the different areas of AI for Scientific Discovery, and discussions around different research areas. There will be dedicated time for networking and we will be implementing a smart badge system whereby attendees can mark their badges according to whether they are looking for a collaborator, employment, job candidates, PhD students etc. We will report on the activities of AI3SD over the last year, including the workhops and hackathons we have run and attended, and there will be an opportunity to hear from the projects we funded in AI3SD-FundingCall1. On the evening of the 18th there will be drinks and networking in the Winchester Science Centre followed by a pre dinner talk by famous Science Communicator Steve Mould! This will be followed by a formal conference dinner at the Holiday Inn. 

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06/03/2019 – AI3SD & MDC AI in Drug Discovery and Drug Safety Workshop – Medicines Discovery Catapult, Cheshire

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This is event is brought to you by AI3SD and Medicines Discovery Catapult. Drug discovery is a complex and long-term scientific investigation involving interdisciplinary research methods coupled with large heterogeneous datasets. The research and data space in this area is vast, and we believe that the use of AI and machine learning technologies can help spur on advances in this domain. This workshop has been designed to draw together those with a keen interest in using AI and machine learning technologies in the domain of drug discovery, both to aid future drug discovery, and to help improve drug safety. At AI3SD we firmly believe that interdisciplinary collaboration is the key to many of these advances, and so welcome anyone working in the technical or scientific ends of this domain, as well as those already working in an interdisciplinary fashion. There will be keynote talks interspersed with general group discussions, and working groups around the key topics that arise. There will also be an opportunity to tour the labs at Medicines Discovery Catapult. Lunch will be provided and there will be plenty of time for networking, and the day will conclude with a prosecco reception.

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