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Recent advances in artificial intelligence for retrosynthesis

Recent advances in artificial intelligence for retrosynthesis

14 January 2023
Zipeng Zhong
Jie Song
Zunlei Feng
Tiantao Liu
Lingxiang Jia
Shaolun Yao
Tingjun Hou
Mingli Song
ArXivPDFHTML

Papers citing "Recent advances in artificial intelligence for retrosynthesis"

7 / 7 papers shown
Title
Retro-BLEU: Quantifying Chemical Plausibility of Retrosynthesis Routes
  through Reaction Template Sequence Analysis
Retro-BLEU: Quantifying Chemical Plausibility of Retrosynthesis Routes through Reaction Template Sequence Analysis
Junren Li
Lei Fang
Jian-Guang Lou
24
2
0
08 Nov 2023
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
21
12
0
30 Oct 2023
Models Matter: The Impact of Single-Step Retrosynthesis on Synthesis
  Planning
Models Matter: The Impact of Single-Step Retrosynthesis on Synthesis Planning
Paula Torren-Peraire
Alan Kai Hassen
S. Genheden
Jonas Verhoeven
Djork-Arné Clevert
Mike Preuss
Igor V. Tetko
8
10
0
10 Aug 2023
Mapping the Space of Chemical Reactions Using Attention-Based Neural
  Networks
Mapping the Space of Chemical Reactions Using Attention-Based Neural Networks
P. Schwaller
Daniel Probst
Alain C. Vaucher
Vishnu H. Nair
D. Kreutter
Teodoro Laino
J. Reymond
125
220
0
09 Dec 2020
Modern Hopfield Networks and Attention for Immune Repertoire
  Classification
Modern Hopfield Networks and Attention for Immune Repertoire Classification
Michael Widrich
Bernhard Schafl
Hubert Ramsauer
Milena Pavlović
Lukas Gruber
...
Johannes Brandstetter
G. K. Sandve
Victor Greiff
Sepp Hochreiter
G. Klambauer
166
117
0
16 Jul 2020
A Bayesian algorithm for retrosynthesis
A Bayesian algorithm for retrosynthesis
Zhongliang Guo
Stephen Wu
Mitsuru Ohno
Ryo Yoshida
BDL
24
27
0
06 Mar 2020
A Decomposable Attention Model for Natural Language Inference
A Decomposable Attention Model for Natural Language Inference
Ankur P. Parikh
Oscar Täckström
Dipanjan Das
Jakob Uszkoreit
187
1,358
0
06 Jun 2016
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