3rd RSC-BMCS / RSC-CICAG

Artificial Intelligence in Chemistry

Monday-Tuesday, 28th-29th September 2020

 

 

A virtual event

Registration is closed (fully booked)

 

Twitter hashtag - #AIChem20

 

Downloads and Links
Important:  Registration has been closed, and the event is fully booked.  If you find you can no longer attend, please send an e-mail to the BMCS Secretariat promptly, so that your place can be allocated to one of those on the waiting list.  If you wish to join the waiting list, please send an e-mail to the BMCS Secretariat.

 

Full lightning programme with links to abstracts and lightning slides

Complete posters listing

Lightning poster presentation programme - day 1

Lightning poster presentation programme - day 2

 

Third announcement

Second announcement

First announcement

 

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

 

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 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 are exploring various opportunities for using breakout rooms, including some lightning poster talks and breakout sessions.
 

Posters Displays

A complete list of poster displays may be found here.
All posters will be 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 of abstracts closed on 14th August.

 

Outline Programme

 

Monday, 28th September

09.30

Lightning oral presentations by some poster presenters (odd numbers) - YouTube link will be inserted here by 21st September at the latest

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:  Joe Sweeney, University of Lancaster, 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

Artificial neural network enhanced synthesis and retrosynthesis prediction

Esben Jannik Bjerrum, AstraZeneca, SE

15.30

Refreshment break and exhibitors

16.00

Teaching a neural network about chemical reactivity
Keynote:  Olexandr Isayev, Carnegie Mellon, US

17.00

Speakers, posters and exhibitors

17.30A networking activity (under consideration, to be confirmed)

 

Tuesday, 29th September

09.30

Lightning oral presentations by some poster presenters (even numbers) - YouTube link will be inserted here by 21st September at the latest

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

Unassisted noise-reduction of chemical reactions data sets
Alessandra Toniato, IBM Research Europe - Zurich, CH

11.30Using machine learning for molecular dynamics simulations
Keynote Sereina Riniker, ETH Zürich, CH

12.30

Lunch, speakers, posters and exhibitors

 

 

Session chair:  Nathan Brown, BenevolentAI, 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
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

Speakers, posters and exhibitors

17.30

Close

 

Exhibitor Sponsors
We are offering an Exhibitor Sponsor package, charged at £300, which entitles you to:
- 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 be available on this webpage from 21st to 30th September:

 

Exhibitor NameVideo Link
CCDC 
Concept Life Sciences 
IKTOSIKTOS video
Liverpool ChiroChemLCC video
Mcule 
o2h discovery 

      

Registration

Important Registration has been closed, and the event is fully booked.  If you find you can no longer attend, please send an e-mail to the BMCS Secretariat promptly, so that your place can be allocated to one of those on the waiting list.

 

If you wish to join the waiting list, please send an e-mail to the BMCS Secretariat.

 

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:

 

 

 

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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