Retrosynthesis Prediction with Local Template Retrieval

Retrosynthesis Prediction with Local Template Retrieval

7 June 2023

Rui Yan

Junliang Guo

Papers citing "Retrosynthesis Prediction with Local Template Retrieval"

9 / 9 papers shown

Title
LLM-Augmented Chemical Synthesis and Design Decision Programs Haorui Wang Jeff Guo Lingkai Kong R. Ramprasad Philippe Schwaller Yuanqi Du Chao Zhang 12 0 0 11 May 2025
Exploiting Pre-trained Models for Drug Target Affinity Prediction with Nearest Neighbors Qizhi Pei Lijun Wu Zhenyu He Jinhua Zhu Yingce Xia Shufang Xie Rui Yan 16 0 0 21 Jul 2024
RetroGFN: Diverse and Feasible Retrosynthesis using GFlowNets Piotr Gaiñski Michał Koziarski Krzysztof Maziarz Marwin H. S. Segler Jacek Tabor Marek Śmieja 40 3 0 26 Jun 2024
Alignment is Key for Applying Diffusion Models to Retrosynthesis Najwa Laabid Severi Rissanen Markus Heinonen Arno Solin Vikas K. Garg DiffM 23 1 0 27 May 2024
UAlign: Pushing the Limit of Template-free Retrosynthesis Prediction with Unsupervised SMILES Alignment Kaipeng Zeng Bo Yang Xin Zhao Yu Zhang Fan Nie Xiaokang Yang Yaohui Jin Yanyan Xu 13 6 0 25 Mar 2024
RetroDiff: Retrosynthesis as Multi-stage Distribution Interpolation Yiming Wang Yuxuan Song Minkai Xu Rui Wang Hao Zhou Wei-Ying Ma 15 2 0 23 Nov 2023
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 19 12 0 30 Oct 2023
Molecule-Edit Templates for Efficient and Accurate Retrosynthesis Prediction Mikolaj Sacha Michal Sadowski Piotr Kozakowski Ruard van Workum Stanislaw Jastrzebski 11 1 0 11 Oct 2023
Efficient Nearest Neighbor Language Models Junxian He Graham Neubig Taylor Berg-Kirkpatrick RALM 182 103 0 09 Sep 2021