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research article

Tango*: constrained synthesis planning using chemically informed value functions

Armstrong, Daniel  
•
Jončev, Zlatko
•
Guo, Jeff  
Show more
2025
Digital Discovery

TANGO* enables starting material constrained synthesis planning using computed molecular similarity to guide retrosynthetic search toward specific starting materials, achieving superior performance to neural network approaches.

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Type
research article
DOI
10.1039/d5dd00130g
Author(s)
Armstrong, Daniel  

École Polytechnique Fédérale de Lausanne

Jončev, Zlatko

École Polytechnique Fédérale de Lausanne

Guo, Jeff  

École Polytechnique Fédérale de Lausanne

Schwaller, Philippe  

École Polytechnique Fédérale de Lausanne

Date Issued

2025

Publisher

Royal Society of Chemistry (RSC)

Published in
Digital Discovery
Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LIAC  
FunderFunding(s)Grant NumberGrant URL

NCCR Catalysis

225147

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

214915

Available on Infoscience
August 25, 2025
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/253475
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