Navigating chemical reaction space – application to DNA-encoded chemistry-Reference-Cited by-同舟云学术

Navigating chemical reaction space – application to DNA-encoded chemistry

Published:2022 Issue:37 Volume:13 Page:11221-11231
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Chines Silvia¹,Ehrt Christiane²,Potowski Marco¹,Biesenkamp Felix¹,Grützbach Lars¹,Brunner Susanne³,van den Broek Frederik⁴^ORCID,Bali Shilpa⁴,Ickstadt Katja³,Brunschweiger Andreas¹^ORCID

Affiliation:

1. TU Dortmund University, Department of Chemistry and Chemical Biology, Otto-Hahn-Str. 6, 44227, Dortmund, Germany

2. Universität Hamburg, Bundesstr. 43, 20146, Hamburg, Germany

3. TU Dortmund University, Department of Statistics, Vogelpothsweg 87, 44227, Dortmund, Germany

4. Elsevier B.V., Radarweg 29, 1043 NX Amsterdam, The Netherlands

Abstract

The computational tool Reaction Navigator supports chemical reaction space navigation by filtering and clustering reactions from chemistry databases. The utility of the tool was demonstrated by identification of reactions for DNA-encoded libraries.

Funder

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/SC/D2SC02474H

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