Qiule Yu

ncAA-RepDistill: a chemistry-native SMILES representation for permeability prediction and local edit ranking of non-canonical cyclic peptides

Non-canonical amino-acid (ncAA) cyclic peptides occupy a chemically rich design space for tuning permeability, stability, and bioavailability, but they remain difficult to model because local chemical edits are strongly scaffold-dependent. Existing representation strategies addre...