Downloads and Links
Important: Registration has been closed, because the event is fully booked. Delegate changes and late registrations are no longer possible. Posters Full lightning programme with links to abstracts and lightning slides Complete posters listing Lightning presentations in continuous video format - day 1 Lightning presentations in continuous video format - day 2 Lightning poster presentation programme - day 1 Lightning poster presentation programme - day 2 Important information about using the Zoom platform
Publicity
Third announcement Second announcement First announcement RSC Links RSC website RSC CICAG newsletter (Chemical Information and Computer Applications Group) - including forthcoming events RSC special offer on membership - follow this link to see below |
Platform and System Requirements
Zoom Plenary conference programme
YouTube Lightning poster presentations (also forming part of plenary programme above)
Twitter Posters - #AIChem20posters
Twitter General usage and comments - #AIChem20
Link to information about using the Zoom platform For Zoom, you may join without downloading any plug-ins or software. This method does, however, have limited features and would function at its best by using Google Chrome, Mozilla Firefox or Chromium Edge. If you do download the software, we suggest that you install the latest version of Zoom, version 5.3.0. Further information may be found here. Registered delegates will have received signing-in information from the organisers about how to join this symposium.
For YouTube, you do not need an account.
For Twitter, you do not need an account, unless you wish to tweet yourself.
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Synopsis
Artificial Intelligence is presently experiencing a renaissance in development of new methods and practical applications to ongoing challenges in Chemistry. Following the successes of two “Artificial Intelligence in Chemistry” meetings in 2018 and 2019, we were pleased to announce that the Biological & Medicinal Chemistry Sector (BMCS) and Chemical Information & Computer Applications Group (CICAG) of the Royal Society of Chemistry were once again organising a conference to present the current efforts in applying these new methods. The meeting was held over two days and combined aspects of artificial intelligence and deep machine learning methods to applications in chemistry. |
Who should attend This meeting was of interest to scientists of any level of experience from academia and industry. |
Features of the Meeting
There was a mix of plenary and keynote talks, and we included some lightning poster talks and breakout rooms to chat with the poster presenters and exhibitors.
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Posters Displays A complete list of poster displays may be found here.
All posters were displayed on Twitter, #AIChem20posters, from 18th September until shortly after the event. Applications for oral and poster presentations were invited and, at the time of submission, applicants were asked if they wished to provide a two-minute lightning oral presentation. The call for abstracts closed on 14th August. |
Networking Sessions At the end of each day’s talks, delegates were invited to join us for a chance to unwind and chat in our Zoom Meetings. They had a chance to talk to our speakers, poster presenters, and exhibitors. These sessions started at 5 pm BST. Unlike the Webinar sessions, delegates also had a chance to use their video and audio, too.
The latest version of Zoom was required (version 5.3.0 or higher).
Delegates left the Zoom Webinar session after the last talk of the day, and joined the Zoom Meeting on each day; the links for the Zoom Meetings on Day 1 and Day 2 were provided in the delegate handbook. There was a short delay between the end of the last talk and the start of the Zoom Meeting while we set up the Breakout Rooms. |
Detailed Programme Note: all timings are BST (British Summer Time), ie GMT or UTC + 1 hour Where speakers have given their permission, you may download their presentation where highlighted thus. Monday, 28th September | 09.30 | Lightning oral presentations by some poster presenters (odd numbers) - Lightning presentations in continuous video format - day 1 Download the detailed programme here Follow this link to programme, abstracts and lightning slides | 10.00 | Technical set-up with (Monday) speakers | | 10.45 | Welcome and introduction Session Chair: Chris Swain, Cambridge MedChem Consulting, UK | 11.00 | Machine learning for efficient design of industrial formulations
Keynote: Gareth Conduit, Intellegens, UK | 12.00 | Lunch, speakers, posters and exhibitors | | | Session chair: Nathan Brown, BenevolentAI, UK | 13.00 | Data driven representations for predicting molecular properties: benchmarking and applications in generative chemistry Jessica Lanini, Novartis, CH | 13.30 | Barking up the right tree: de novo design via searching over molecule synthesis DAGs
John Bradshaw, University of Cambridge, UK | 14.00 | Refreshment break and exhibitors | 14.30 | Bayer’s in silico ADMET platform: how the combination of artificial and human intelligence can make a difference in drug discovery
Andreas Göller, Bayer AG, DE | 15.00 | Unassisted noise-reduction of chemical reactions data sets
Alessandra Toniato, IBM Research Europe - Zurich, CH | 15.30 | Refreshment break and exhibitors | 16.00 | Teaching a neural network about chemical reactivity
Keynote: Olexandr Isayev, Carnegie Mellon, US | 17.00 | Networking session with speakers, poster presenters and exhibitors | | 18.00 | Close | Tuesday, 29th September | | 09.30 | Lightning oral presentations by some poster presenters (even numbers) - Lightning presentations in continuous video format - day 2 Download the detailed programme here Follow this link to programme, abstracts and lightning slides | 10.00 | Technical set-up with (Tuesday) speakers | | 10.45 | Welcome and introduction Session chair: Samantha Hughes, AstraZeneca, UK | 11.00 | Artificial neural network enhanced synthesis and retrosynthesis prediction Esben Jannik Bjerrum, AstraZeneca, SE | | 11.30 | Using machine learning for molecular dynamics simulations
Keynote: Sereina Riniker, ETH Zürich, CH | 12.30 | Lunch, speakers, posters and exhibitors | | | Session chair: Garrett Morris, University of Oxford, UK | 14.00 | Free energy calculations for drug discovery with hybrid ML/MM potentials
Hannah Bruce McDonald, MSD, UK | 14.30 | The data is the filter is in the data: meaningful machine learning models and machine-learned pharmacophores from fragment screening campaigns Slides may be made available a little later
Carl Poelking, Astex Pharmaceuticals and University of Cambridge, UK | 15.00 | Refreshment break and exhibitors | 15.30 | Novel chemical structure input method for machine learning to capture 3D information like chirality and rotational symmetry
Ella Gale, University of Bristol, UK | 16.00 | DNA-encoded small molecules libraries meet machine learning Keynote: Patrick Riley, Google, US | 17.00 | Networking session with speakers, poster presenters and exhibitors | 18.00 | Close |
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Exhibitor Sponsors
The Exhibitor Sponsor package, charged at £300, comprises:
- a full promotional page in the electronic delegate handbook
- your logo in the delegate handbook and in the rolling slides
- opportunity for you to host a breakout session throughout in order to promote your product
- opportunity to provide a short promotional video for upload to this website. Confirmed Exhibitor Sponsors are listed below, and links to their promotional videos will remain available on this webpage until 30th September: |
Registration Registration has been closed, because the event is fully booked. Delegate changes and late registrations are no longer possible. Cancellation Policy We would kindly ask that, out of courtesy to the organisers, you let us know if you are no longer able to attend or if your place will be taken by someone else. A minimum of seven days' notice would be much appreciated. Acknowledgements will be sent within two weeks. |
RSC Special Offer on Membership 
We know that not everyone in the audience is a member of the Royal Society of Chemistry and there may be several reasons for this, but right now the RSC are offering free Affiliate membership to anyone who attends one of our online events. If you’ve ever considered joining but haven’t got around to it, or are not sure what you could get out of being a member, then maybe now is the time to sign up as an Affiliate for free and try it out.
Affiliate membership doesn’t need a degree transcript or CV, simply go to rsc.li/affiliate and use the discount code IG100 to join, and then you can become a member of our Interest Group, the BMCS or CICAG, and keep up to date with all of our events and activities.
Affiliate membership offers:
- Free membership of one Interest Group*
- 10 free RSC journal article downloads a year and 35% off RSC books
- Online access to Chemistry World
- Access to careers resources and webinars and discounts for accredited training courses
- Support from the Chemists’ Community Fund
- Discounts on travel, insurance, lifestyle and publications.
* You may wish to choose the BMCS (Biological and Medicinal Chemistry Sector) or the CICAG (Chemical Information and Computer Applications Group! |
Sponsors
This third symposium is organised by the RSC BMCS (Biological and Medicinal Chemistry Sector) and the RSC CICAG (Chemical Information and Computer Applications Group). 
We are grateful to our confirmed sponsors for their support: 
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Organising Committee
Nathan Brown, BenevolentAI (chairman) Garrett Morris, University of Oxford Samantha Hughes, AstraZeneca Chris Swain, Cambridge MedChem Consulting Joe Sweeney, Lancaster University (treasurer) |
Secretariat Contact
Maggi Churchouse, 3 East Barn, Market Weston Road, Thelnetham, Diss IP22 1JJ, UK
Telephone: +44 (0)1359 221004
To contact the secretariat, please send an e-mail here. |
A virtual event Registration is closed (fully booked)
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