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9-11/03/2020 - AI3SD, Dial-a-Molecule & Directed Assembly: AI for Reaction Outcome and Synthetic Route Prediction - DeVere Tortworth Court Hotel, Gloucestershire

posted 28 Jan 2020, 08:14 by Samantha Kanza   [ updated 24 Feb 2020, 02:30 ]
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Description: This is a joint meeting between the Dial-a-Molecule, Directed Assembly and AI3SD (Artificial Intelligence and Augmented Intelligence for Automated Investigations for Scientific Discovery) Networks. The meeting will examine the state of the art and future opportunities in the use of Artificial Intelligence to predict the outcome of unknown chemical reactions, and consequently design optimum synthetic routes to desired molecules.  A wide variety of AI approaches will be illustrated including expert systems, statistical methods, mechanism based and Machine Learning.

The meeting will also consider:
  • Data sourcing, sharing, and quality.
  • Automated experimentation to generate reaction knowledge.  
  • Theoretical calculations to enrich or replace experimental data.
The meeting will include talks to introduce the breadth of the area to all participants. Discussion sessions and opportunities to develop collaborations will be a key aspect of the meeting.

Abstracts & Speaker Bios:

Please see our Agenda Page

Oral and poster contributions are invited.
  • Oral Contribution Submission Form. Deadline: 31/10/2019. Notification of Acceptance: 02/12/2019.
  • Poster Abstract Submission Form. Deadline: 15/01/2020. Notification of Acceptance: 31/01/2020. 
The poster session has been generously sponsored by IKTOS!
  • There will be a £300 poster prize for best poster
  • The top five posters will be rewarded with expert accounts on Spaya, IKTOS's fully data-driven retrosynthetic tool which will soon be launched online.

Event Details:
  • Location: DeVere, Tortworth Hotel, Gloucestershire 
  • Time: This 3-day residential event runs from 10:30 on Monday 9th March through to 4pm on Wednesday 11th March. Registration includes 2 nights accommodation and all meals at the lovely De Vere Tortworth Court Hotel.

Registration fees:
  • Early Bird tickets (to 31st October)  Academia and SMEs £100; Industry Delegates £150
  • General Admission (from 1st Nov)  Academia and SMEs £200; Industry Delegates £300
To secure your place, register now! More information on the event will be available here.

*We are now operating a waiting list. Please get in touch with

Exhibitors & Sponsors:

Our drinks reception, and Professor Peter Johnson's talk is exclusively sponsored by: 

Our poster prizes are sponsored by:

This event is sponsored by:
   .      .

If you are interested in exhibiting/sponsoring this event please contact us.