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Fast and accurate prediction of the regioselectivity of electrophilic aromatic substitution reactions
Jimmy C. Kromann,
Jan H. Jensen
, Monika Kruszyk, Mikkel Jessing, Morten Jørgensen
Kemisk Institut
26
Citationer (Scopus)
22
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Keyphrases
Prediction Accuracy
100%
Regioselectivity
100%
Nucleophilic Aromatic Substitution
100%
Fast Prediction
100%
Substitution Reaction
100%
Expert Knowledge
50%
Chemical Reactivity
50%
Electrophilic
50%
Freely Available
50%
Organic Synthesis
50%
Retrospective Analysis
50%
Nucleophilic
50%
Carbon Atom
50%
Computational Prediction
50%
Computational Resources
50%
Computational Tools
50%
Computational Cost
50%
Chloroform
50%
Halogenation Reaction
50%
Web Server
50%
Aromatics
50%
Heteroaromatic Systems
50%
Free Energy
50%
Chemistry
Electrophilic Aromatic Substitution
100%
Regioselectivity
100%
halogenation
50%
Carbon Atom
50%
Free Energy
50%
Chloroform
50%
Chemical Reactivity
50%
Medicine and Dentistry
Chloroform
100%