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Modelling Chemical Reasoning to Predict and Invent Reactions
Marwin Segler
, Mark Waller
University of Münster
Research output
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Contribution to journal
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Article
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peer-review
157
Scopus citations
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Dive into the research topics of 'Modelling Chemical Reasoning to Predict and Invent Reactions'. Together they form a unique fingerprint.
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Keyphrases
Chemical Reaction
33%
Expert System
33%
High-throughput
33%
Knowledge Graph
66%
Local Structure
33%
Novel Transform
66%
Organic Chemists
33%
Prediction Task
33%
Reaction Discovery
33%
Reaction Prediction
100%
Reaction Types
33%
Rule-based
33%
Synthesis Problem
33%
Engineering
Frame Time
100%
Local Structure
100%
Scientific Literature
100%
Tasks
100%
Computer Science
Expert System
100%
Local Structure
100%
Scientific Literature
100%