Open AccessDescribe Molecules by a Heterogeneous Graph Neural Network with Transformer-like Attention for Supervised Property Predictions
Author(s) -
Daiguo Deng,
Zengrong Lei,
Xiaobin Hong,
Ruochi Zhang,
Fengfeng Zhou
Publication year - 2022
Publication title -
acs omega
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.779
H-Index - 40
ISSN - 2470-1343
DOI - 10.1021/acsomega.1c06389
Subject(s) - molecular graph , computer science , artificial neural network , theoretical computer science , graph , property (philosophy) , homogeneous , artificial intelligence , topology (electrical circuits) , source code , transformer , machine learning , mathematics , programming language , engineering , philosophy , epistemology , combinatorics , voltage , electrical engineering