Demo Data from VLDB 2026 / reviewers in the wild / expert
Piotr Ludynia
dblp:372/7910
· DBLP profile ↗
1ranked-venue papers
0as first author
1since 2021 · last 2026
—ORCID · unresolved
Domains — the database's venue-derived domains; a paper can count in several
Applied, interdisciplinary, general and emerging computing · 1 · 1 since 2021
Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.
| Interdisciplinary, comprehensive, and emerging computing
1 paper |
Bioinformatics and computational biology · 100% |
Topics — the 2 heaviest of 4, each with the papers that count most for it
| Topic | Weight | Papers | Last | Evidence papers |
|---|---|---|---|---|
Bioinformatics and computational biology › molecular informatics › cheminformatics
molecular fingerprint |
1.0 | 1 | 2026 | Molecular fingerprints are strong models for peptide function prediction · Bioinform. 2026 |
Bioinformatics and computational biology › molecular informatics › cheminformatics
molecular representation |
1.0 | 1 | 2026 | Molecular fingerprints are strong models for peptide function prediction · Bioinform. 2026 |
Methods — techniques the papers use, named apart from their topics
topological torsion · 1.0RDKit fingerprints · 1.0LightGBM · 1.0ECFP · 1.0
| Year | Publication | Venue | Position |
|---|---|---|---|
| 2026 | Molecular fingerprints are strong models for peptide function predictionabstractMOTIVATION: Understanding peptide properties is often assumed to require modeling long-range molecular interactions, motivating complex graph neural networks and pretrained transformers. Whether such long-range dependencies are essential remains unclear. We investigate if simple, domain-specific molecular fingerprints can capture peptide function without these assumptions. Atomic-level representations aim to provide richer information than purely sequence-based models and better efficiency than structural ones. RESULTS: Across 132 datasets, including LRGB and five additional peptide benchmarks, models using count-based ECFP, Topological Torsion, and RDKit fingerprints with LightGBM achieve state-of-the-art accuracy. Despite encoding only short-range molecular features, these models outperform GNNs and transformer-based approaches. Control experiments confirm that fingerprints, though inherently local, suffice for robust peptide property prediction. Our results challenge the presumed necessity of long-range interaction modeling and highlight molecular fingerprints as efficient, interpretable, and lightweight alternatives. SUPPLEMENTARY INFORMATION: All code and data are available on GitHub and Zenodo: https://github.com/scikit-fingerprints/peptides_molecular_fingerprints_classification https://doi.org/10.5281/zenodo.19388783. Jakub Adamczyk, Piotr Ludynia, Wojciech Czech |
Bioinform. | 2 |