Open AccessGNN-Retro: Retrosynthetic Planning with Graph Neural Networks
Author(s) -
Han Peng,
Peilin Zhao,
ChongDao Lu,
Junzhou Huang,
Jiaxiang Wu,
Shuo Shang,
Bin Yao,
Xiangliang Zhang
Publication year - 2022
Publication title -
proceedings of the ... aaai conference on artificial intelligence
Language(s) - English
Resource type - Journals
eISSN - 2374-3468
pISSN - 2159-5399
DOI - 10.1609/aaai.v36i4.20318
Subject(s) - retrosynthetic analysis , margin (machine learning) , computer science , graph , artificial intelligence , search algorithm , data mining , machine learning , theoretical computer science , algorithm , chemistry , total synthesis , organic chemistry