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Experimental Results for the study "The Hypervolume Newton Method for Constrained Multi-Objective Optimization Problems"2023 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Advanced Multi-Objective Optimization Algorithms Open access
Hao Wang, Michael Emmerich, Andre H. Deutz, Víctor Adrián Sosa Hernández, Oliver Schütze
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Experimental Results for the study "The Hypervolume Newton Method for Constrained Multi-Objective Optimization Problems"2023 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Advanced Multi-Objective Optimization Algorithms Open access
Hao Wang, Michael Emmerich, Andre H. Deutz, Víctor Adrián Sosa Hernández, Oliver Schütze
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Data and reproduction materials for COFOLDER: Toward Bias-Aware Co-Folding for Ligand Screening and Design.2026 Zenodo (CERN European Organization for Nuclear Research) dataset Pharmacology, Toxicology and Pharmaceutics Computational Drug Discovery Methods Open access
Remco L. van den Broek, José Carlos Gómez-Tamayo, Gary Tresadern, Willem Jespers, Gerard J. P. van Westen
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Data associated to the paper "Reduced basis surrogates for quantum spin systems based on tensor networks"2023 Zenodo (CERN European Organization for Nuclear Research) dataset Physics and Astronomy Quantum many-body systems Open access
Paul Brehmer, Michael F. Herbst, Stefan Weßel, Matteo Rizzi, Benjamin Stamm
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Data associated to the paper "Reduced basis surrogates for quantum spin systems based on tensor networks"2023 Zenodo (CERN European Organization for Nuclear Research) dataset Physics and Astronomy Quantum many-body systems Open access
Paul Brehmer, Michael F. Herbst, Stefan Weßel, Matteo Rizzi, Benjamin Stamm
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Reproducibility Archive for Explainable Machine Learning Integrating Quantum Mechanical Descriptors and Matched Molecular Pair Analysis for Scaffold-Generalizable Discovery of Soluble Epoxide Hydrolase Inhibitors.2026 Zenodo (CERN European Organization for Nuclear Research) dataset Pharmacology, Toxicology and Pharmaceutics Computational Drug Discovery Methods Open access
Dileep Kumar, Ajwin Joseph Martin, Maria Grishina, Mohd Shahbaaz
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Reproducibility Archive for Explainable Machine Learning Integrating Quantum Mechanical Descriptors and Matched Molecular Pair Analysis for Scaffold-Generalizable Discovery of Soluble Epoxide Hydrolase Inhibitors.2026 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Computational Drug Discovery Methods Open access
Dileep Kumar, Ajwin Joseph Martin, Maria Grishina, Mohd Shahbaaz
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Datasets and figures from the "Design and evaluation of semantically-valid negative sample integration techniques for scalable semi-automated drug repurposing prediction pipelines in rare disease research" paper (BMC-Bioinformatics)0citations
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Accompanying data - Papyrus - A large scale curated dataset aimed at bioactivity predictions2022 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Computational Drug Discovery Methods Open access
Olivier J. M. Béquignon, Brandon J. Bongers, Willem Jespers, Adriaan P. IJzerman, Bob van de Water, Gerard J. P. van Westen
3citations -
ParlEE plenary speeches V2 data set: Annotated full-text of 15.1 million sentence-level plenary speeches of six EU legislative chambers2023 Research Portal (Queen's University Belfast) dataset Social Sciences Computational and Text Analysis Methods Open access
Christine Sylvester, Anastasia Ershova, Aleksandra Khokhlova, Nikoleta Yordanova, Zachary Greene
2citations -
Accompanying data - UnCorrupt SMILES: a novel approach to de novo design2022 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Computational Drug Discovery Methods Open access
Linde Schoenmaker, Olivier J.M. Béquignong, Willem Jespers, Gerard J. P. van Westen
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Data and code supporting: From Phenotypic Screening to Target and Compound Prioritization for Autosomal Dominant Polycystic Kidney Disease2026 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Computational Drug Discovery Methods Open access
David Alencar Araripe, Margarita Iljin, Hester Bange, Leo Price, Rongfang Liu, Daan van der Es, +3 more
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Accompanying data - UnCorrupt SMILES: a novel approach to de novo design2022 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Computational Drug Discovery Methods Open access
Linde Schoenmaker, Olivier J.M. Béquignong, Willem Jespers, Gerard J. P. van Westen
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Data underlying the article: 3DDPDs: Describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors2023 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Computational Drug Discovery Methods Open access
Marina Gorostiola González, Remco L. van den Broek, Magdalini Chatzopoulou, Willem Jespers, Adriaan P. IJzerman, Laura H. Heitman, +1 more
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Data underlying the article: 3DDPDs: Describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors2023 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Computational Drug Discovery Methods Open access
Marina Gorostiola González, Remco L. van den Broek, Magdalini Chatzopoulou, Willem Jespers, Adriaan P. IJzerman, Laura H. Heitman, +1 more
0citations