Tango: Constrained synthesis planning using chemically informed value functions

Computer-aided synthesis planning (CASP) has made significant strides in generating retrosynthetic pathways for simple molecules in a non-constrained fashion. Recent work introduces a specialised bidirectional search algorithm with forward and retro expansion to address the starting material-constra...

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Veröffentlicht in:	arXiv.org 2024-12
Hauptverfasser:	Armstrong, Daniel, Joncev, Zlatko, Guo, Jeff, Schwaller, Philippe
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical synthesis Constraints Cost function Search algorithms Search methods
Online-Zugang:	Volltext
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