2 papers
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),…
cs.CL2024
Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model
Peng Zhou, Jianmin Wang, Chunyan Li +11
While various models and computational tools have been proposed for structure and property analysis of molecules, generating molecules that conform to all desired structures and pr…