2 papers
cs.LG2025
Recent Developments in GNNs for Drug Discovery
Zhengyu Fang, Xiaoge Zhang, Anyin Zhao +3
In this paper, we review recent developments and the role of Graph Neural Networks (GNNs) in computational drug discovery, including molecule generation, molecular property predict…
cs.LG2025
Dual-Modality Representation Learning for Molecular Property Prediction
Anyin Zhao, Zuquan Chen, Zhengyu Fang +2
Molecular property prediction has attracted substantial attention recently. Accurate prediction of drug properties relies heavily on effective molecular representations. The struct…