2 papers
cs.AI2024
Hierarchical Structure Enhances the Convergence and Generalizability of Linear Molecular Representation
Juan-Ni Wu, Tong Wang, Li-Juan Tang +2
Language models demonstrate fundamental abilities in syntax, semantics, and reasoning, though their performance often depends significantly on the inputs they process. This study i…
cs.LG2024
t-SMILES: A Scalable Fragment-based Molecular Representation Framework for De Novo Molecule Generation
Juan-Ni Wu, Tong Wang, Yue Chen +3
Effective representation of molecules is a crucial factor affecting the performance of artificial intelligence models. This study introduces a flexible, fragment-based, multiscale…