Prompt Engineering for Transformer-based Chemical Similarity Search Identifies Structurally Distinct Functional Analogues. - Clayton W. Kosonocky; Aaron L. Feller; Claus O. Wilke; Andrew D. Ellington (CoRR, 2023)

Using alternative SMILES representations to identify novel functional analogues in chemical similarity vector searches. - Clayton W. Kosonocky; Aaron L. Feller; Claus O. Wilke; Andrew D. Ellington (Patterns, 2023)

Peptide-Aware Chemical Language Model Successfully Predicts Membrane Diffusion of Cyclic Peptides. - Aaron L. Feller; Claus O. Wilke (J. Chem. Inf. Model., 2025)