Artificial Intelligence in Chemistry


Monday-Tuesday, 28th-29th September 2020



This will be a virtual event

Registration is not yet open


Twitter hashtag - #AIChem20


Downloads and Links
Second announcement

Oral and poster abstract template - closing date is 31st July


RSC website

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


Coronavirus Disease (COVID-19)

Statement from RSC BMCS Committee

18th March 2020

With the ongoing Coronavirus situation and increasing requirements for social distancing, the RSC BMCS Committee has taken the decision to cancel all solely or jointly arranged meetings up to and including GPCRs on 21st-23rd September 2020. It is hoped that planned 2020 meetings can take place on similar dates in 2021.


Please check www.rsc.org/bmcs and our social media outlets (Twitter @RSC_BMCS, LinkedIn, Facebook and Instagram @RSCBMCS, YouTube) for any updates. It is our policy that 100% refunds be given to registered delegates. We would, however, ask for your patience for these to be processed. Thank you for your understanding.


For current information regarding the virus, please refer to the websites of the UK Government and Public Health England, or the World Health Organisation. 


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 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.

Call for Abstracts

Applications for oral and poster presentations are invited. Posters will be displayed throughout the day and applicants will be asked if they wish to provide a two-minute flash oral presentation when submitting their abstract. The closing date for all submissions is 31st July.


Please download an abstract template here.


Confirmed Speakers

(subject to their agreement to the virtual meeting format)


Machine learning for free energy calculations
Keynote:  Hannah Bruce McDonald, Memorial Sloan Kettering Cancer Center, US

Presentation title to be confirmed
Keynote:  Olexandr Isayev, Carnegie Mellon, US

Artificial neural network enhanced synthesis and retrosynthesis prediction

Esben Jannik Bjerrum, AstraZeneca, SE

Data driven representations for predicting molecular properties: benchmarking and applications in generative chemistry

Jessica Lanini, Novartis, CH

Presentation title to be confirmed
Patrick Riley, Google, US

Using machine learning for molecular dynamics simulations
Sereina Riniker, ETH Zürich, CH

Outline Programme

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Participation will be free of charge, although you will be required to register via our website.


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.


This third symposium is organised by the RSC BMCS (Biological and Medicinal Chemistry Sector) and the RSC CICAG (Chemical Information and Computer Applications Group). 



Sponsors are sought to support the administration costs of this virtual symposium. 


We are grateful to our confirmed sponsors:




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
E-mail:  maggi@maggichurchouseevents.co.uk


To contact the secretariat, please send an e-mail.


Registration is not yet open



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