Artificial Intelligence in Chemistry


Monday-Tuesday, 27th-28th September 2021


A virtual event

Registration is open


Twitter hashtag - #AIChem21


Downloads and Links
First announcement

Abstract template - closing dates are 30th June (oral) and 13th August (poster)


Online registration - to pay by card
Registration form - to pay by bank transfer

Important information about using the Zoom platform


BMCS website

RSC website

RSC CICAG newsletter (Chemical Information and Computer Applications Group) - including forthcoming events


Platform and System Requirements
Zoom Webinar     Plenary conference programme
to be confirmed   Networking with speakers, poster presenters and delegates

to be confirmed   Lightning poster presentations

This website        Poster display and viewing

Twitter                General usage and comments - #AIChem21

Artificial Intelligence is presently experiencing a renaissance in development of new methods and practical applications to ongoing challenges in Chemistry.  Following the successes of three annual “Artificial Intelligence in Chemistry” meetings starting in 2018, we are pleased to announce that the Biological & Medicinal Chemistry Sector (BMCS) and Chemical Information & Computer Applications Group (CICAG) of the Royal Society of Chemistry are once again organising a conference to present the current efforts in applying these new methods. The meeting will be held over two days and combine aspects of artificial intelligence and deep machine learning methods to applications in chemistry.


Who should attend

This meeting will be of interest to scientists of any level of experience from academia and industry.


Features of the Meeting
There will be a mix of plenary and keynote talks, and we will include some lightning poster talks and breakout rooms to chat with the poster presenters and exhibitors.

Call for Abstracts

Applications are invited for oral and poster presentation.  Posters will be displayed throughout the day and, at the time of submission, applicants are asked if they wish to provide a two-minute lightning oral presentation. The closing dates for submissions are 30th June for oral and 13th August for poster presentations.


Please download an abstract template here.


Networking Sessions

At the end of each day’s talks, delegates are invited to join us for a chance to unwind and chat (using either Zoom Meetings or Grapevine). They will have a chance to talk to our speakers, poster presenters, other delegates, and exhibitors. These sessions will start at 5 pm BST.  Unlike the Webinar sessions, delegates will also have a chance to use their video and audio.

Confirmed Speakers

Note:  all timings are BST (British Summer Time), ie GMT or UTC + 1 hour


AI for molecular design, past, present and future
Ola Engkvist, AstraZeneca, SE

Exploring molecular space and accelerating drug discovery with MegaMolBART, a transformer-based generative model
Michelle Gill, NVIDIA, US

Challenges and opportunities for machine learning in drug discovery
Patrick Walters, Relay Therapeutics, US


Exhibitor Opportunity
A maximum of six Exhibitor Sponsor packages are available, charged at £300, and each comprises:
- a web-link and contact link on this page
- a web-linked logo in the delegate handbook

- a full promotional page in the delegate handbook

- a logo in the rolling slides
- opportunity to provide a pre-recorded, five-minute maximum speaker slot (promotional video) for inclusion in the speaker programme and for upload to this web-page (.mp4 format only).

- one full delegate participation including delegate networking.

Confirmed Exhibitor Sponsors will be listed below with a preferred web-link, a contact link, and at a later date a promotional video link.  


Exhibitor Name (weblinked)Exhibitor Contact



Online registration - to pay by card
Registration form - to pay by bank transfer

£40 Member* of the RSC
£60 Non-member
£20 Student** member, unemployed member, retired member
£30 Student** non-member, unemployed non-member, retired non-member
£300 Exhibitor Package† – including one attendee

* Member is a paid-up member of the RSC
** Student rates apply to undergraduate and post-graduate students only, but not post-doctoral students. They do not apply to students in paid employment.
† For details of the Package, see the paragraph above.


Cancellation Policy

In the event of cancellation before 24th August 2021, 80% of the fee paid will be refunded. Cancellations must be received in writing. Refunds will not be possible from 7th September onwards, although substitutions are possible at any time. Acknowledgements will be sent within two weeks.


This fourth 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 sponsor below,

and additional sponsors are sought to support this event.




Organising Committee
Nathan Brown, BenevolentAI (co-chairman)

Garrett Morris, University of Oxford (co-chairman)

Samantha Hughes, AstraZeneca (co-chairman)

Chris Swain, Cambridge MedChem Consulting

Mary Wheldon, University of Dundee (treasurer)


Secretariat Contact
Mrs Maggi Churchouse, UK, telephone: +44 (0)1359 221004
To contact the secretariat, please send an e-mail here.


A virtual event

Registration is open



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