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Piotr Ludynia

dblp:372/7910 · DBLP profile ↗
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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

TopicWeightPapersLastEvidence papers
Bioinformatics and computational biology › molecular informatics › cheminformatics
molecular fingerprint
1.012026
Molecular fingerprints are strong models for peptide function prediction · Bioinform. 2026
Bioinformatics and computational biology › molecular informatics › cheminformatics
molecular representation
1.012026
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
YearPublicationVenuePosition
2026 Molecular fingerprints are strong models for peptide function prediction
abstract
MOTIVATION: 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