3 papers
cs.CL2025
Enhancing Molecular Property Prediction with Knowledge from Large Language Models
Peng Zhou, Lai Hou Tim, Zhixiang Cheng +4
Predicting molecular properties is a critical component of drug discovery. Recent advances in deep learning, particularly Graph Neural Networks (GNNs), have enabled end-to-end lear…
cs.CV2025
ImageDDI: Image-enhanced Molecular Motif Sequence Representation for Drug-Drug Interaction Prediction
Yuqin He, Tengfei Ma, Chaoyi Li +6
To mitigate the potential adverse health effects of simultaneous multi-drug use, including unexpected side effects and interactions, accurately identifying and predicting drug-drug…
cs.AI2024
Y-Mol: A Multiscale Biomedical Knowledge-Guided Large Language Model for Drug Development
Tengfei Ma, Xuan Lin, Tianle Li +8
Large Language Models (LLMs) have recently demonstrated remarkable performance in general tasks across various fields. However, their effectiveness within specific domains such as…