Publications, Presentations, and Posters
Data splitting to avoid information leakage with DataSAIL
Authors: Joeres, R., Blumenthal, D. B., and Kalinina, O. V.
Article in Nature Communications (Preprint in bioRxiv)
Poster at HIPS Symposium 2023 and HZI & UdS PhD Assembly (both in Saarbruecken, Germany)
Poster at GCB 2023 in Hamburg and RDKit UGM 2023 in Mainz, both Germany
Contributed talk in ELLIS ML4Molecules Workshop 2023 (online)
Contributed talk at Helmholtz AI Conference 2025 in Karlsruhe, Germany
Higher-Order Message Passing for Glycan Representation Learning
Authors: Joeres, R., Bojar, D.
Article in arXiv
Poster to the MLSB Workshop @ NeurIPS 2024 in Vancouver, Canada
Guiding questions to avoid data leakage in biological machine learning applications
Authors: Bernett, J., Blumenthal, D. B., Grimm, D. G., Haselbeck, F., Joeres, R., Kalinina, O. V., List, M.
Article in Nature Methods
Navigating the Maze of Mass Spectra:
A Machine-Learning Guide to Identifying Diagnostic Ions in O-Glycan Analysis
Authors: Urban, J., Joeres, R., Thomès, L., Thomsson, K. A., Bojar, D.
Article in Analytical and Bioanalytical Chemistry (Preprint in bioRxiv)
TeachOpenCADD goes Deep Learning:
Open-source Teaching Platform Exploring Molecular DL Applications
Authors: Backenköhler, M., Kramer, P. L., Groß, J., Großmann, G, Joeres, R., Tagirdzhanov, A., Sydow, D., Ibrahim, H., Odje, F.,
Wolf, V., and Volkamer, A.
Preprint in chemRxiv
Challenges in Data Processing in Lectin-Glycan Interaction Prediction
Lightning talk at E-Science-Days 2023 in Heidelberg, Germany
GlyLES: Grammar-based Parsing of Glycans from IUPAC-condensed to SMILES
Authors: Joeres, R., Bojar, D., and Kalinina, O. V.
Article in Journal of Cheminformatics (Preprint in bioRxiv)
Poster at 17th German Conference on Cheminformatics 2022 in Garmisch-Partenkirchen, Germany
Chair for Drug Bioinformatics
Poster at 1st General PhD Assembly 2022 at HZI in Braunschweig, Germany,
Multiple Sequence Alignment using Deep Reinforcement Learning
Author: Joeres, R.
Article in Proccedings of the Studierendenkonferenz Informatik (SKILL) 2021 online and in Berlin, Germany
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