RetCL: A Selection-based Approach for Retrosynthesis via Contrastive Learning

3 May 2021

Papers citing "RetCL: A Selection-based Approach for Retrosynthesis via Contrastive Learning"

6 / 6 papers shown

Title
DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis Yu Shee Haote Li Anton Morgunov Victor S. Batista 57 1 0 22 May 2024
Retrosynthesis Prediction with Local Template Retrieval Shufang Xie Rui Yan Junliang Guo Yingce Xia Lijun Wu Tao Qin 29 12 0 07 Jun 2023
Recent advances in artificial intelligence for retrosynthesis Zipeng Zhong Mingli Song Zunlei Feng Tiantao Liu Lingxiang Jia Shaolun Yao Tingjun Hou Mingli Song 36 5 0 14 Jan 2023
Root-aligned SMILES: A Tight Representation for Chemical Reaction Prediction Zipeng Zhong Mingli Song Zunlei Feng Tiantao Liu Lingxiang Jia Shaolun Yao Min-Ying Wu Tingjun Hou Mingli Song 34 53 0 22 Mar 2022
A Bayesian algorithm for retrosynthesis Zhongliang Guo Stephen Wu Mitsuru Ohno Ryo Yoshida BDL 43 27 0 06 Mar 2020
Deep Graph Library: A Graph-Centric, Highly-Performant Package for Graph Neural Networks Minjie Wang Da Zheng Zihao Ye Quan Gan Mufei Li ... Jun Zhao Haotong Zhang Alex Smola Jinyang Li Zheng-Wei Zhang AI4CE GNN 206 747 0 03 Sep 2019