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6 results in Keywords: Retrosynthesis prediction

Theoretical and Computational Chemistry

Working Paper

A Transformer Model for Retrosynthesis

Pavel Karpov, Guillaume Godin, Igor Tetko

Version 1 posted 02 May 2019

1,333

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Biological and Medicinal Chemistry

Working Paper

RetroXpert: Decompose Retrosynthesis Prediction Like A Chemist

Chaochao Yan, Qianggang Ding, Peilin Zhao, Shuangjia Zheng, Jinyu Yang, Yang Yu, Junzhou Huang

Version 5 posted 05 November 2020

2,555

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Theoretical and Computational Chemistry

Working Paper

Artificial Applicability Labels for Improving Policies in Retrosynthesis Prediction

Esben Jannik Bjerrum, Amol Thakkar, Ola Engkvist

Version 1 posted 11 May 2020

613

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Citations

Theoretical and Computational Chemistry

Working Paper

Substructure-based Neural Machine Translation for Retrosynthetic Prediction

Umit Ucak, Taek Kang, Junsu Ko, Juyong Lee

Version 2 posted 31 July 2020

484

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Theoretical and Computational Chemistry

Working Paper

Retrosynthetic Accessibility Score (RAscore) - Rapid Machine Learned Synthesizability Classification from AI Driven Retrosynthetic Planning

Amol Thakkar, Veronika Chadimova, Esben Jannik Bjerrum, Ola Engkvist, Jean-Louis Reymond

Version 1 posted 30 September 2020

851

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Theoretical and Computational Chemistry

Review

Application of Modern Intelligent Algorithms in Retrosynthesis Prediction

Jianhan Liao, Xiaoxin Shi, Tong Zhu

Version 1 posted 08 May 2024

323

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6 results in Retrosynthesis prediction in Keywords: Retrosynthesis prediction

A Transformer Model for Retrosynthesis

RetroXpert: Decompose Retrosynthesis Prediction Like A Chemist

Artificial Applicability Labels for Improving Policies in Retrosynthesis Prediction

Substructure-based Neural Machine Translation for Retrosynthetic Prediction

Retrosynthetic Accessibility Score (RAscore) - Rapid Machine Learned Synthesizability Classification from AI Driven Retrosynthetic Planning

Application of Modern Intelligent Algorithms in Retrosynthesis Prediction

6 results in Keywords: Retrosynthesis prediction