Comparative Evaluation of Peptide Representations and Similarity Measures

Overview

Poster at the CBI Society Annual Meeting 2026, presented by Itsuki Maeda, comparing peptide representations and similarity measures. Binary and count ECFP4 fingerprints often selected different nearest neighbours, yet tracked cyclic peptide membrane permeability (CycPeptMPDB) about equally well.

Session: P02 “Data Science” (P02-24, core time B: Oct 27 17:00–18:00 / Oct 28 16:00–17:00)

Affiliation: Kyoto University Graduate School of Medicine, Department of Biomedical Data Intelligence