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Logo Artificial Intelligence and Augmented Intelligence for Automated Investigations for Scientific Discovery
AI3SD Newsletter: Issue 2
In this Newsletter:

AI3SD Funding Call | Upcoming AI3SD Events | Network+ Launch Report | Events Attended | Events of Interest | Coming Soon | Member Suggestions and Comments | AI3SD Membership | Subscription Details
AI3SD Funding Call

Announcing the first AI3SD Funding Call!

We are pleased to announce our first AI3SD funding call:, which will focus on the theme of Chemical Discovery.

The following priority areas are:
- Novel aspects of AI and Drug Discovery
- Machine Learning and AI Reasoning for Chemical Discovery
- AI for Chemical Assemblies, Nanoscience
- AI, Molecular Topology and Property Prediction
- Synergies between AI and Simulations

The Key dates are as follows:
- 7th January – Announce Call on Website
- 22nd January - “Network Town Meeting” which will be held at the SCI:
- 18th February- Application Deadline (application forms must be sent to Samantha Kanza the Network+ Coordinator at [log in to unmask])
- 21st March – Formal Call Announce (After AB Meeting)

Please read the Guidance Document carefully before filling in the Application Form. Please note: Individual projects can request up to £40,000 funding (total spend up to £50,000 as per FEC 80%). Applicants will be awarded 80% of the full cost, and the institution receiving the award is responsible for the remaining 20%.

If you have any questions please contact our Network+ Coordinator Dr Samantha Kanza on [log in to unmask]

Upcoming AI3SD Events

At our Network+ Launch we announced some of the meetings and workshops that have been planned for 2019. Below are a list of these events, some have firm dates and locations organised, and the rest are currently in the process of being organised. Keep an eye on our Website Events Page. When formal Eventbrite pages are made for the rest of these events they will be sent our via this mailing list.

AI3SD Network+ Town Meeting - 22nd January 2019
Society for Chemical Industry, 15 Belgrave Square, Belgravia, London SW1X 8PS, UK


AI3SD Molecules Graphs & AI Workshop - 6th February 2019
The Ageas Bowl, Botley Rd, West End, Southampton SO30 3XH, UK


AI3SD & MDC AI in Drug Discovery & Drug Safety - 6th March 2019
Medicines Discovery Catapult, Block 35, Mereside, Alderley Park, Alderley Edge SK10 4TG, UK


AI3SD Semantics & Knowledge Learning for Chemical Design Workshop - 1st May 2019
Solent Conference Centre, The Spark, Southampton Solent University, East Park Terrace, Southampton SO14 0YN, UK


AI3SD & Dial-a-Molecule AI for Reaction Pathway Workshop - 17-18th July 2019
Location TBD

AI3SD & Pistoia Hackathon - 13th September 2019
Location TBD

AI3SD & Internet of Food Things Network+ AI and Allergen Detection Workshop - 17th October 2019
Location TBD (London)

We are also planning to hold our 2019 AI3SD Network+ Conference in November, dates to be announced soon!

Network+ Launch Report

On the 5th December 2018 AI3SD was formally launched!


It was a very successful event, 104 people attended and we had a range of very interesting talks that covered a range of topics from the state of Machine Learning and Artificial Intelligence today, to issues with data for AI, AI in Drug Discovery, right the way through to a philosophical take on AI for Scientific Discovery in the 21st Century. A Blog Post written by Michelle Pauli about the launch is now available on our website. A full Launch report is also available, as are links to most of the presentations and an online copy of the Launch Booklet provided to attendees on the day. Our launch is also featured in the Royal Society of Chemistry Chemical Information and Computer Applications Group Winter Newsletter.

Events Attended

The Network Executive Group have attended three relevant meetings. More information on these meetings can be found at: where blog posts and links to reports will be added in due course.

Seminar at the Australian National University - 28th-29th November 2018
Niranjan visited the Australian National University to deliver his seminar on "Inference from Outliers" (which included his recent (unpublished) work on solubility) and to advertise AI3SD. For those interested in hearing about Niranjan's work in this field, he will be presenting on it at our Molecules, Graphs and AI workshop on the 6th February 2019.


RSC Chemical Information and Computer Applications Group (CICAG) Committee Meeting - 6th December 2018
Jeremy and Samantha attended the committee meeting of the Royal Society of Chemistry's CICAG. Jeremy is part of the committee, and Samantha has been helping out with the social media for the group. This meeting was a good opportunity to report back on how the AI3SD Network+ Launch had gone the day before, and also to advertise AI3SD to members of the committee who hadn't been able to come to the launch.


Faraday Division Chemistry Software Tools Meeting - 12th December 2018
The Frey Group at University of Southampton (including Jeremy and Samantha) helped out at this event. It was designed to help physical chemists find the best software tools for their research, and Jeremy and Samantha presented talks on Responsible, Reproducible Research & FAIR Data, and Collaborative Paper Writing: Google Docs, Word and Office 365, TeX and Overleaf. There were also other talks on using GitHub, using Electronic Lab Notebooks, how to give presentations, and about joining the Royal Society of Chemistry. This was a very informative events, and a great opportunity for us to connect with researchers in this field and promote the Network+ to them as a place for them to make new contacts and see what relevant events and funding calls we had in place that were applicable to their research.


Events of Interest

We have added 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 that have been added to this list since the previous newsletter are:

Alan Turing Institute - Turing Lecture - Real people behind Artificial Intelligence - 22nd January 2019 (Evening after our Network+ Town Meeting)
Alan Turing Institute, 96 Euston Rd, Kings Cross, London NW1 2DB, UK


Alan Turing Institute - Turing Lecture: Glimpsing our AI Future - 28th January 2019
Alan Turing Institute, 96 Euston Rd, Kings Cross, London NW1 2DB, UK


Pistoia Alliance Centre of Excellence for AI/ML in Life Sciences Workshop - 12th March 2019
Hilton London Paddington, 146 Praed St, Paddington, London W2 1EE, UK (map)


The 6th Computational Molecular Science (CMS) Meeting - 27th–29th March 2019
University of Warwick, Coventry CV4 7AL, UK


Big Ideas for Big Data in Drug Discovery - 12th April 2019
University College London, Gower St, Bloomsbury, London WC1E 6BT, UK


Chemical Computing Group UGM & Conference 2019 - 21th-24th April 2019
Oxford, UK

Coming Soon

The currently planned upcoming events to be attended by the Network+ team in January, February and March are:

Tech Talk at Syngenta - 24th January 2019
Jeremy and Samantha will be giving a Tech Talk at Syngenta about their work on the Talk2Lab project. This project is focused on bringing the laboratory into the 21st Century, through the use of Internet of Things devices such as sensors, Raspberry PI's and the Amazon Alexa.


Recoding Black Mirror - 30th January 2019
Samantha will be attending this workshop in Brussels as part of CPCD2019. This workshop is centered around ethical and societal challenges of digital technologies, computer science solutions against the misuse of technologies, and technological approaches to prevent Black Mirror's dystopian future. This is highly relevant to the Network+ as we need to be mindful of the ethical and societal implications of the technology we are creating, and take preventative steps against making these dystopian stories a reality.


Electronics and Computer Science Careers Fair - 14th February 2019
Samantha will be attending the ECS Careers fair at the University of Southampton to promote AI3SD both to STEM companies who will be at the fair, and to students who's research interests align with AI3SD.


Pistoia Alliance Centre of Excellence for AI/ML in Life Sciences Workshop - 12th March 2019
Jeremy and Samantha will be attending this event in London, where Jeremy will be participating as a panel member. AI3SD is keen to work with organisations such as Pistoia, and indeed will be co-hosting a hackathon with them in September. This will be a great opportunity for us to promote AI3SD and make some new contacts for upcoming events.


AI3SD Advisory Board Meeting #2 - 20th March 2019
Our second advisory board meeting will be held in Southampton in March. The Network+ Executive Group will be verifying that the AB are happy with how the funding call review process has been handled. Procedures were discussed at the first advisory board meeting, and our Jeremy and Samantha will be meeting with our chair John Overington earlier in March to discuss the review process at great length. The AB meeting will also discuss if the AB are happy with how the Network is progressing, and discuss the next set of meetings and funding calls.

Member Suggestions and Comments

We want to hear from you!

On our website we have added a suggestion form on the Contact Us Page. So, particularly in light of next our advisory board meeting happening in March, if you have any suggestions or ideas for AI3SD, please fill in the form or tweet us or email [log in to unmask]

We are currently actively seeking suggestions on the following:
- Important papers in the areas of chemicals, materials and AI, and leading research groups to help us construct a literature resource and review of AI for Scientific Discovery. We have setup a Zotero Group for members to join and directly add literature into, or alternatively please email us, tweet us, put a suggestion in via the website or send us a message on linkedin.
- Open source software tools for AI and Scientific discovery, similarly please tweet us, email us, suggest via the website or send us a message on linkedin.

AI3SD Membership

We now have 224 members on the mailing list which covers individuals from over 25 different academic institutions and over 30 different companies. Membership of this list defines membership of the AI3SD Network.

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The list is moderated, sending relevant news and events to the members of this encouraged. We will send out all relevant Network+ communications through this channel including details of our upcoming events, funding calls and activities.

Please pass this on to others who may be interested in our Network.

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This Network+ is EPSRC Funded under Grant No: EP/S000356/1

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