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AI3SD, Dial-a-Molecule & Directed Assembly: AI for Reaction Outcome and Synthetic Route Prediction Conference Report 2020

AI3SD, Dial-a-Molecule & Directed Assembly: AI for Reaction Outcome and Synthetic Route Prediction Conference Report 2020
AI3SD, Dial-a-Molecule & Directed Assembly: AI for Reaction Outcome and Synthetic Route Prediction Conference Report 2020
The meeting was organized by the Dial-a-Molecule, Directed Assembly, and AI3 Science Discovery Networks. Dial-a-Molecule’s vision is that in 20-40 years, scientists will be able to deliver any desired molecule within a timeframe useful to the end-user, using safe, economically viable and sustainable processes. Predicting the outcome of unknown reactions is a key challenge, and a key problem is lack of data, particularly on “failed” reactions. Synthesis must become a data-driven discipline. Since 2011 the Dial-a-Molecule Network has organized many meetings around the themes of collecting better data and using automated reaction platforms for repeatable and captured procedures. A recent success has been the establishment of the center for Rapid Online Analysis of Reactions (ROAR) at Imperial College.
AI3SD, Dial-a-Molecule, Directed Assembly, Workshop Report, AI, Reaction Outcome, Machine Learning, Synthetic Route Prediction
17
University of Southampton
Warr, Wendy
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Kanza, Samantha
b73bcf34-3ff8-4691-bd09-aa657dcff420
Frey, Jeremy G.
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Whitby, Richard J.
45632236-ab00-4ad0-a02d-6209043e818b
Warr, Wendy
96fed7e7-c301-4192-8ba0-83ab354c7e7a
Kanza, Samantha
b73bcf34-3ff8-4691-bd09-aa657dcff420
Frey, Jeremy G.
ba60c559-c4af-44f1-87e6-ce69819bf23f
Whitby, Richard J.
45632236-ab00-4ad0-a02d-6209043e818b

Warr, Wendy , Kanza, Samantha, Frey, Jeremy G. and Whitby, Richard J. (eds.) (2020) AI3SD, Dial-a-Molecule & Directed Assembly: AI for Reaction Outcome and Synthetic Route Prediction Conference Report 2020 (AI3SD-Event-Series, , (doi:10.5258/SOTON/P0021), 17) University of Southampton 79pp.

Record type: Monograph (Project Report)

Abstract

The meeting was organized by the Dial-a-Molecule, Directed Assembly, and AI3 Science Discovery Networks. Dial-a-Molecule’s vision is that in 20-40 years, scientists will be able to deliver any desired molecule within a timeframe useful to the end-user, using safe, economically viable and sustainable processes. Predicting the outcome of unknown reactions is a key challenge, and a key problem is lack of data, particularly on “failed” reactions. Synthesis must become a data-driven discipline. Since 2011 the Dial-a-Molecule Network has organized many meetings around the themes of collecting better data and using automated reaction platforms for repeatable and captured procedures. A recent success has been the establishment of the center for Rapid Online Analysis of Reactions (ROAR) at Imperial College.

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More information

Published date: 4 May 2020
Keywords: AI3SD, Dial-a-Molecule, Directed Assembly, Workshop Report, AI, Reaction Outcome, Machine Learning, Synthetic Route Prediction

Identifiers

Local EPrints ID: 441628
URI: http://eprints.soton.ac.uk/id/eprint/441628
PURE UUID: ffdb476f-4b51-4189-a40e-4cd67223a7a9
ORCID for Samantha Kanza: ORCID iD orcid.org/0000-0002-4831-9489
ORCID for Jeremy G. Frey: ORCID iD orcid.org/0000-0003-0842-4302
ORCID for Richard J. Whitby: ORCID iD orcid.org/0000-0002-9891-5502

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Date deposited: 22 Jun 2020 16:34
Last modified: 07 Jan 2021 17:33

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