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Models Matter: The Impact of Single-Step Retrosynthesis on Synthesis
  Planning

Models Matter: The Impact of Single-Step Retrosynthesis on Synthesis Planning

10 August 2023
Paula Torren-Peraire
Alan Kai Hassen
S. Genheden
Jonas Verhoeven
Djork-Arné Clevert
Mike Preuss
Igor V. Tetko
ArXivPDFHTML

Papers citing "Models Matter: The Impact of Single-Step Retrosynthesis on Synthesis Planning"

4 / 4 papers shown
Title
Chemical reasoning in LLMs unlocks steerable synthesis planning and reaction mechanism elucidation
Andres M Bran
Theo A Neukomm
Daniel Armstrong
Zlatko Joncev
Philippe Schwaller
LRM
41
0
0
11 Mar 2025
Accelerating the inference of string generation-based chemical reaction
  models for industrial applications
Accelerating the inference of string generation-based chemical reaction models for industrial applications
Mikhail Andronov
Natalia Andronova
Michael Wand
Jürgen Schmidhuber
Djork-Arné Clevert
AI4CE
20
3
0
12 Jul 2024
Double-Ended Synthesis Planning with Goal-Constrained Bidirectional
  Search
Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search
Kevin Yu
Jihye Roh
Ziang Li
Wenhao Gao
Runzhong Wang
Connor W. Coley
24
5
0
08 Jul 2024
Re-evaluating Retrosynthesis Algorithms with Syntheseus
Re-evaluating Retrosynthesis Algorithms with Syntheseus
Krzysztof Maziarz
Austin Tripp
Guoqing Liu
Megan Stanley
Shufang Xie
Piotr Gaiñski
Philipp Seidl
Marwin H. S. Segler
ELM
27
12
0
30 Oct 2023
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