Molecular property prediction based on graph structure learning.
Journal:
Bioinformatics (Oxford, England)
Published Date:
May 2, 2024
Abstract
MOTIVATION: Molecular property prediction (MPP) is a fundamental but challenging task in the computer-aided drug discovery process. More and more recent works employ different graph-based models for MPP, which have achieved considerable progress in improving prediction performance. However, current models often ignore relationships between molecules, which could be also helpful for MPP.