SG-ATT: A Sequence Graph Cross-Attention Representation Architecture for Molecular Property Prediction

SG-ATT: A Sequence Graph Cross-Attention Representation Architecture for Molecular Property Prediction

Existing formats based on the simplified molecular input line entry system (SMILES) encoding and molecular graph structure are designed to encode the complete semantic and structural information of molecules. However, the physicochemical properties of molecules are complex, and a single encoding of...

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Bibliographic Details
Main Authors: Yajie Hao, Xing Chen, Ailu Fei, Qifeng Jia, Yu Chen, Jinsong Shao, Sanjeevi Pandiyan, Li Wang
Format: Article
Language:English
Published: MDPI AG 2024-01-01
Series:Molecules
Subjects:
molecular graph
knowledge graph
cross-attention
molecular property prediction
Online Access:https://www.mdpi.com/1420-3049/29/2/492

Internet

https://www.mdpi.com/1420-3049/29/2/492

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