2 papers
cs.LG2025
Molecule Generation for Target Protein Binding with Hierarchical Consistency Diffusion Model
Guanlue Li, Chenran Jiang, Ziqi Gao +5
Effective generation of molecular structures, or new chemical entities, that bind to target proteins is crucial for lead identification and optimization in drug discovery. Despite…
cs.CV2024
MolNexTR: A Generalized Deep Learning Model for Molecular Image Recognition
Yufan Chen, Ching Ting Leung, Yong Huang +3
In the field of chemical structure recognition, the task of converting molecular images into machine-readable data formats such as SMILES string stands as a significant challenge,…