SpecOpt: Contact-Diff Reasoning for Agentic Molecule Optimization Toward Binding Specificity
arXiv:2609.21165v1 Announce Type: new Abstract: Off-target protein binding is a major source of adverse effects for small-molecule drugs, yet most structure-based molecular design methods focus on generating selective compounds de novo...
Read more: https://arxiv.org/abs/2609.21165
Scan with your phone
Scan with your phone