Topological Fusion Model for Molecular Property Prediction - Rong, Xia; Haotian, Xu; Junwei, Wu; Shufei, Zhang; Mingjie, Sun; Jiejie, Liu; Quan, Zhang (Applied intelligence (Dordrecht, Netherlands), 2025)
Keywords: Aldehydes; Artificial Intelligence; Chemical bonds; Chemical synthesis; Computer Science; Covalent bonds; Data analysis; Datasets; Deep learning; Functional groups; Hydrogen bonds; Machine learning; Machines; Manufacturing; Mechanical Engineering; Molecular properties; Neural networks; Processes; Signal processing; Topology; Topological structure; Positional encoding; 3D molecular