2 papers
q-bio.BM2026
Deciphering Scientific Reasoning Steps from Outcome Data for Molecule Optimization
Zequn Liu, Kehan Wu, Shufang Xie +5
Emerging reasoning models hold promise for automating scientific discovery. However, their training is hindered by a critical supervision gap: experimental outcomes are abundant, w…
cs.AI2025
MolChord: Structure-Sequence Alignment for Protein-Guided Drug Design
Wei Zhang, Zekun Guo, Yingce Xia +4
Structure-based drug design (SBDD), which maps target proteins to candidate molecular ligands, is a fundamental task in drug discovery. Effectively aligning protein structural repr…