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Logo Artificial Intelligence and Augmented Intelligence for Automated Investigations for Scientific Discovery
AI3SD Newsletter: Issue 8
In this Newsletter:

AI3SD-FundingCall2 Funding Awards | AI3SD-FundingCall1 Updates | Upcoming AI3SD Events | AI3SD Event Reports | Exhibiting & Sponsoring | Workshop Proposals | Welcoming Victoria | Events of Interest | Membership | Subscription Details
AI3SD-FundingCall2 Funding Awards

Announcing our successful Funding Applications!

We are pleased to announce that we are able to offer funding to four projects for AI3SD-FundingCall2 (pending successful contract negotiations). The successful projects are:

Project Title: Optimising Flatland: Inverse design of desalination membranes
Principal Investigator: Dr J. Grant Hill
Lead Institution: University of Sheffield
Project Partners: Imperial College London


Project Title: Interpretable crystal descriptions across length scales for materials discovery
Principal Investigator: Dr James Cumby
Lead Institution: University of Edinburgh


Project Title: Active Learning for Cost-Efficient Reaction Prediction using Kinetic Data
Principal Investigator: Dr Paul Dingwall
Lead Institution: Queens University Belfast


Project Title: Artificial intelligence for reconstruction and super-resolution of chemical tomography
Principal Investigator: Dr Keith Butler
Lead Institution: STFC
Project Partners: Finden, Ltd

AI3SD-FundingCall1 Updates

All three of our funded projects from AI3SD-FundingCall1 have progressed very successfully.

The three PI's from the funded projects from AI3SD-FundingCall1 all attended and presented on their progress at our AI3SD 2019 Conference (more information on this event can be found here). These presentations and exclusive interviews with each of the PI's will be published soon as part of our AI3SD Conference Report.

The project reports for each Funded Project can be found on our website here.

Upcoming AI3SD Events

Here at AI3SD we are currently making plans for 2020. We have two dates in the diary so far and are currently planning on organising a number of workshops which will be detailed in the next newsletter. As formal Eventbrite pages are made we will send out further details via the mailing list so keep an eye here and on our Website Events Page.

For those of you attending our AI for Reaction Outcome and Synthetic Route Prediction Conference on Monday 9th March we look forward to seeing you!

AI3SD Seminar: First Principles and Machine Learning Calculations of Aqueous Solubility - 6th May 2020
Building 29/1101, University of Southampton

This is part of our AI3SD Seminar Series, and this talk will be given by Dr John Mitchell, EaStCHEM School of Chemistry, University of St Andrews. A full Abstract and Speaker Bio can be found on the Event page given above.


AI3SD & Materials Innovation Factory: MACSMIN (MAthematics and Computer Science for Materials INnovation) - 7-8th September 2020
Materials Innovation Factory in Liverpool, UK
[Registration Details coming soon!]

Our aim is to create an inter-disciplinary community on the interface between Mathematics, Computer Science and Materials Science. The ultimate goal is to establish the new area of Computer-Aided Materials Science (CAMS) together with industry, e.g. the Cambridge Crystallographic Data Centre and IBM Research, to tackle real-life problems such as Climate Emergency. The first annual MACSMIN conference will be on 7-8 September 2020 co-located with the bi-annual symposium of the Leverhulme Research Centre on 9-11 September 2020 at the Materials Innovation Factory in Liverpool, UK. We welcome original contributions with theoretical results or an analysis of algorithms that can potentially help in a discovery and design of materials with desired properties, e.g. the example topics include (and are not limited to) Mathematical Crystallography, Computational Geometry and Topology, AI and Statistical Learning for Functional Materials. A call for contributed talks and posters will be issued in January-February with a deadline in May-June 2020. See the past events and contact details at

AI3SD Event Reports

Two new reports of recent events are available to view on our website:

AI3SD & IoFT AI Technologies for Allergen Detection and Smart Cleaning within Food Production - 17/10/2019 - SCI, London
On the 17th October 2019 AI3SD, IoFT (The Internet of Food Things Network+) and members of the Food Water and Waste Research Group at the University of Nottingham teamed up to host an event on AI for Allergen Detection and Smart Cleaning within Food Production. Here is a blog post written by Michelle Pauli about the event. You can find full coverage of the presentations and working group discussions in the main report, also written by Michelle Pauli which can be found here:


AI3SD, OSM & RSC-CICAG: AI and ML in Drug Discovery: Predicting Bioactive Molecules when there is No Target - 31/01/2020 - Burlington House, London
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 UCL, with the project entitled "Predicting the Activity of Drug Candidates where there is No Target". This meeting was to conclude and present the results of this competition. 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 were 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. Presentations were given by some of the eleven competition entrants about how their models were constructed, and other presentations were given on related developments. The full report written by Dr Chris Swain can be found here:].

Exhibiting & Sponsoring

We are hoping to include exhibitors/sponsors in our upcoming meetings as we progress towards making our Network+ more sustainable.

For some meetings we will actively recruit for exhibitors/sponsors (such as our upcoming AIReact2020 Meeting) but we are always open to including exhibitors/sponsors if it is feasible to accommodate them. So please get in touch with us on [log in to unmask] if you are interested in sponsoring an event.

Workshop Proposals

We are interested in co-funding workshops that are relevant to AI3SD!

At AI3SD we are always interested in getting involved with relevant workshops. If you are planning to put on a workshop that is relevant to the research interests of the Network+, or if you have been wanting to put on a relevant workshop but didn't necessarily have sufficient funds, you can apply to us for co-sponsorship and co-organisation of your workshop.

To find out more about this please visit the Workshop Funding Page on our website.

Welcoming Victoria

We are delighted to welcome a new member of the AI3SD Network+ Team - Our new Network+ Administrator Mrs Victoria Hooper!


Victoria Hooper is a Senior Administrator at the University of Southampton. Prior to joining the AI3SD Network+ as Network Administrator, she worked in the Faculty of Arts and Humanities providing professional and high quality administrative support to the departments of Music and Film was Executive Assistant to the Deputy Head of School (Education). Victoria continues to work for the AHRC funded grant "Music, Home and Heritage: Sounding the Domestic in Georgian Britain" and has previously worked for large organisations in the city including Southampton City Council and Carnival UK.

Events of Interest

We have a Meetings of Interest page on our website where we have a comprehensive list of meetings that AI3SD Members might be interested in attending. The upcoming meetings in the next few months are:

The Turing Presents: AI UK - 24-25th March 2020
The Brewery, 52 Chiswell St, London EC1Y 4SD, UK


UKQSAR Spring 2020 Meeting - 23rd April 2020
Alderley Park, Congleton Rd, Macclesfield SK10 4TG, UK


Automation and Artificial Intelligence (ICAAI_2020) - 21-22nd May 2020
London, UK


If you are hosting (or know of) any other relevant upcoming meetings please feel free to email us on [log in to unmask] and we will include these events in the next newsletter.


We now have 513 members on the mailing list which covers individuals from over 65 different academic institutions and over 80 different companies. Membership of this list defines membership of the AI3SD Network.

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