2 papers
cs.CL2026
How Creative Are Large Language Models in Generating Molecules?
Wen Tao, Yiwei Wang, Peng Zhou +6
Molecule generation requires satisfying multiple chemical and biological constraints while searching a large and structured chemical space. This makes it a non-binary problem, wher…
cs.AI2024
Learning to Denoise Biomedical Knowledge Graph for Robust Molecular Interaction Prediction
Tengfei Ma, Yujie Chen, Wen Tao +9
Molecular interaction prediction plays a crucial role in forecasting unknown interactions between molecules, such as drug-target interaction (DTI) and drug-drug interaction (DDI),…