Tag: molecular representation

A new multimodal AI framework called MEGH-DDI combines chemical language models with graph neural networks to predict drug–drug interactions with ...

Researchers in China have developed MKMed, a cross-modal AI framework that aligns five types of drug knowledge to overcome the ...

A new framework called TDiMS rebuilds molecular descriptors around pairs of chemically meaningful substructures, aiming to make predictions of intramolecular ...

A new dual-view graph neural network called HD-SKRG achieves state-of-the-art few-shot molecular property prediction by combining hierarchical atom and functional-group ...