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Logo Artificial Intelligence and Augmented Intelligence for Automated Investigations for Scientific Discovery
AI3SD Newsletter: Issue 7
In this Newsletter:

AI3SD Hackathon! | AI3SD Funding FAQs | Upcoming AI3SD Events | AI3SD Advisory Board Update | AI3SD Event Reports | AI3SD Events of Interest | AI3SD Membership | Subscription Details
AI3SD Hackathon!

We would like to say a huge thanks to everyone who took part in our hackathon! And a special congratulations to Team Underachievers who took first place, and The Insolubles who took 2nd place.


We had a marvellous two days of training talks and data science / machine learning challenges. We had four teams take part and each rose to their chosen challenge magnificently! Full information on the datasets and challenges used alongside photographs of the winning teams can be found on the news coverage of this event: AI3SD Hackathon News

AI3SD Funding FAQs

We held a town meeting for our second funding call on the 11th September and all queries and discussions have been written up into our Funding FAQ.

All of our FAQS can be found on our new Funding FAQs Page. If you have any additional queries that are not already answered here please don't hesitate to get in touch with us!

Details on our funding call can be found at:

Key Dates
- 19th December 2019 – Application Deadline (application forms must be sent to Samantha Kanza the Network+ Coordinator at [log in to unmask])
- 5th February 2020 – Formal Call Results Announcement

Upcoming AI3SD Events

Here at AI3SD we are planning a further two events for 2019, and already have one organised for 2020. Each of these three events has a fixed date, location, and Eventbrite pages which are detailed below.

AI3SD & IoFT AI Technologies for Allergen Detection and Smart Cleaning within Food Production - 17/10/2019 - SCI, London
As food allergies and intolerances are on the rise, allergen detection and awareness is becoming more critical than ever at all stages of the food production pipeline; from cleaning the factories and kitchens the food is produced in, to detecting allergens in food, right through to creating allergen free food in the future. Unsurprisingly research has turned to technological solutions to combat this issue. This workshop is centered around the usage of Artificial Intelligence in Allergen Detection and Smart Cleaning within Food Production; research areas that co-align between both AI3SD & IoFT. The workshop will begin with some thought provoking talks to report on the current state of affairs, and consider where we need to be going in the future. There are six main working group topics identified for this workshop, and talks will be given on the different aspects that need to be considered with respect to allergen detection and smart cleaning before we break into the working groups for more formal discussions. There are multiple sessions for the working group discussions, and so there will be opportunities to take part in as many group discussions as you wish. The workshop will be formally recorded and the suggestions for going forward will be captured in a position paper. Lunch will be provided and the workshop will end with networking drinks.


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

There are now speaker biographies and abstracts detailed on our website page for this conference:

The conference includes sessions for contributed talks and presenting virtual posters through flash talks. If you are interested in showcasing your work either through a presentation or poster, or indeed already have a relevant poster please apply to present at the conference. This is a great opportunity to showcase your research, especially if you are looking for potential collaborators! If you wish to submit a poster or an abstract for a talk please fill in our AI3SD 2019 Poster Submission Form or our AI3SD 2019 Abstract Submission Form.

We have reserved a number of rooms at the Winchester Holiday Inn on the nights of the 17th and 18th November for conference attendees at a rate of £100. You will be able to ring up and book one of these rooms until the 7th October, upon which they will be released and anybody looking to book a room after this point will be quoted the current selling rate. The details for the Winchester Holiday Inn can be found here Please quote the University of Southampton and the 18th November when you ring up to book.


AI3SD, Dial-a-Molecule & Directed Assembly: AI for Reaction Outcome and Synthetic Route Prediction - 09-11/03/2020 DeVere Tortworth Court Hotel, Gloucestershire
This is a joint meeting between the Dial-a-Molecule, Directed Assembly and AI3SD (Artificial Intelligence and Augmented Intelligence for Automated Investigations for Scientific Discovery) Networks. The meeting will examine the state of the art and future opportunities in the use of Artificial Intelligence to predict the outcome of unknown chemical reactions, and consequently design optimum synthetic routes to desired molecules. A wide variety of AI approaches will be illustrated including expert systems, statistical methods, mechanism based and Machine Learning. The meeting will also consider: Data sourcing, sharing, and quality; Automated experimentation to generate reaction knowledge; and Theoretical calculations to enrich or replace experimental data. The meeting will include talks to introduce the breadth of the area to all participants. Discussion sessions and opportunities to develop collaborations will be a key aspect of the meeting.

Oral and poster contributions are invited.
Oral Contribution Submission Form. Deadline: 31/10/2019. Notification of Acceptance: 02/12/2019.
Poster Abstract Submission Form. Deadline: 15/01/2020. Notification of Acceptance: 31/01/2020.

AI3SD Advisory Board Update

On Monday 23rd September we held our third Advisory Board Meeting.

This was a very useful meeting, whereby we updated the Advisory board of the progress of the Network+ including the meetings we have held in 2019, and with their help consolidated our plans for 2020. We have been in contact with the PI's of the three currently funded projects, and each have sent us an update on their progress. We are pleased to say they are all going well and each of the PI's will be speaking at our Network+ Conference in November to update the Network+ as a whole on the outcomes of their projects.

We have organised the 4th AI3SD Advisory Board Meeting for the 30th January 2020 to line up with our funding call announcements on the 5th February 2020. As in the previous funding call, the Advisory board will advise the Network+ Executive Group on which proposals to fund.

The Network+ Advisory Board is chaired by Professor John Overington of the Medicines Catapult and is currently comprised of 13 highly experienced individuals from both industry and academia, with a wide range of relevant skills to our Network+. The purpose of the Network+ Advisory Board (AB) is to provide advice on the conduct and content of the AI3SD Network+. This encompasses helping to identify major streams of research for the network and to both commission and assess research proposals. Details on the Advisory Board members can be found on our Advisory Board Page.

AI3SD Event Reports

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

AI3SD, Dial-a-Molecule, Directed Assembly & University of Leeds AI and ML in Chemical Discovery and Development - 18-19th July 2019
This was a joint networks event between AI3SD, Dial-a-Molecule, Directed Assembly Network and the University of Leeds. This was a residential event aiming to bring together stakeholders with different backgrounds, e.g.academic/industry, researchers/data owners, and chemists/engineers/computer scientists, to discuss applications of AI and Machine Learning in Chemical Discovery and Development. The event was made up of some priming talks to stimulate discussion, and a series of structured discussion sessions over the two days to form a general consensus on some key objectives and milestones to deliver the promised impacts of these important tools within the remit of the three networks. A formal report summarising these discussions and projecting next steps and a potential road map was written by Dr Bao Nyugen and can be found here:


ISTCP: 10th Triennial Congress of the International Society for Theoretical Chemical Physics - 11th July 2019
AI3SD offers funding for ECR members of AI3SD looking to attend conferences that are relevant to the Network+. We funded Dr Grant Hill from the University of Sheffield to attend this meeting. This was a seven day conference held in Norway with the aim of showcasing the achievement and advances of all areas of theoretical chemical physics. The conference had several areas that are of high interest to AI3SD including the sessions on Machine Learning and some of the talks in the Physical Organic Chemistry and Catalysis Sessions. The full report written by Dr Grant Hill can be found here:

AI3SD Events of Interest

We have an Events 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:

Chemistry Networks: Focus on AI & Machine Learning - 25th September 2019
Department of Chemistry, University of Cambridge, Lensfield Rd, Cambridge CB2 1EW, UK


PHARMATEC SERIES: Pharma IT, Artificial Intelligence, Smart Laboratories & Cyber Security - 25th-26th September 2019
ILEC Conference Center, 47 Lillie Rd, Earl's Court, London SW6 1UD, UK


RSC: Gamification of R&D in the Digital Age – A Robotic future - 26th September 2019
The Royal Society of Chemistry, Burlington House, Piccadilly, London, W1J 0BA, UK


Symposium to celebrate 10 years of the ChEMBL database - 8th October 2019
Francis Crick Auditorium, Wellcome Genome Conference Centre, Wellcome Genome Campus, Hinxton, Cambridge, CB10 1SD, UK


AI World Congress 2019 - 14-15th October 2019
Kensington Conference and Event Centre, Kensington Town Hall, Hornton St, Kensington, London W8 7NX, UK


What can Big Data do for Chemistry II - 16th October 2019
SCI, 15 Belgrave Square, Belgravia, London SW1X 8PS, UK


Pistoia Alliance Annual USA Conference - 23rd October 2019
Hilton Boston Back Bay, 40 Dalton St, Boston, MA 02115, USA


Global Pharma R&D Informatics and AI Congress - 28-29th October 2019
London Heathrow Marriott Hotel, Heathrow Airport, Bath Rd, Hayes, Harlington, Hayes UB3 5AN, UK


RSC: Chemistry Means Business - 28-29th October 2019
Queen Elizabeth II Centre, Broad Sanctuary, Westminster, London SW1P 3EE, UK


BMCS Lectureship: "Drug Discovery Tomorrow: the future Medicinal Chemist" - 21st October 2019
Library, The Royal Society of Chemistry, Burlington House, Piccadilly, London, W1J 0BA, UK

AI3SD Membership

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