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Papers matching “set data structures” 138

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Investigating Enzyme Function by Geometric Matching of Catalytic Motifs
2026 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics Open access

Ioannis G. Riziotis, Martin F. Larralde, António J. M. Ribeiro, Georg Zeller, Janet M. Thornton

2

citations
Papyrus - A large scale curated dataset aimed at bioactivity predictions
2021 ChemRxiv preprint 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

8

citations
Papyrus - A large scale curated dataset aimed at bioactivity predictions
2021 preprint 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

4

citations
Computational simulation of virtual patients reduces dataset bias and improves machine learning-based detection of ARDS from noisy heterogeneous ICU datasets
2022 medRxiv preprint Computer Science Machine Learning in Healthcare Open access

Konstantin Sharafutdinov, Sebastian Johannes Fritsch, Pejman Farhadi Ghalati, Sina Saffaran, Declan G. Bates, Jonathan G. Hardman, +5 more

4

citations
ForwardFlow: Simulation only statistical inference using deep learning
2026 arXiv (Cornell University) preprint Mathematics Markov Chains and Monte Carlo Methods Open access

Stefan Böhringer

0

citations
FedSCS-XGB -- Federated Server-centric surrogate XGBoost for continual health monitoring
2026 arXiv (Cornell University) preprint Computer Science Privacy-Preserving Technologies in Data Open access

Felix Walger, Mehdi Ejtehadi, Anke Schmeink, Diego Felipe PAEZ GRANADOS

0

citations
EBSDmagus: Managing Multi-Stage Dynamical Electron Backscatter Diffraction Simulations
2026 arXiv (Cornell University) preprint Decision Sciences Scientific Computing and Data Management Open access

U. Kerzel, Lukas Berners, Sandra Korte‐Kerzel

0

citations
QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling Tool
2024 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

Helle W. van den Maagdenberg, Martin Šícho, David Alencar Araripe, Sohvi Luukkonen, Linde Schoenmaker, Michiel Jespers, +7 more

1

citations
Factorized Structured Regression for Large-Scale Varying Coefficient Models
2022 arXiv (Cornell University) preprint Computer Science Recommender Systems and Techniques Open access

David Rügamer, Andreas Bender, Simon Wiegrebe, Daniel Racek, Bernd Bischl, Christian L. Müller, +1 more

1

citations
Differentiable Structure Learning for Cyclic Linear Gaussian Models with Latent Confounders
2026 arXiv (Cornell University) preprint Computer Science Bayesian Modeling and Causal Inference Open access

Sadegh Khorasani, Ali Najar, Saber Salehkaleybar, Negar Kiyavash

0

citations
Schedulable Job-Level Dependencies for Cause-Effect Chains via Graph Neural Networks
2026 arXiv (Cornell University) preprint Computer Science Real-Time Systems Scheduling Open access

Silviu S. Craciunas, Christian Hakert, Jian-Jia Chen, Zdeněk Hanzálek, Paul Pop

0

citations
Euclid preparation - XLVIII. The pre-launch Science Ground Segment simulation framework
2024 arXiv (Cornell University) preprint Physics and Astronomy Astronomy and Astrophysical Research Open access

Euclid Collaboration, S Serrano, Patrick Hudelot, Gregor Seidel, Jennifer E. Pollack, Eric Jullo, +88 more

0

citations
Ellipsoidal embeddings of graphs
2024 arXiv (Cornell University) preprint Computer Science Advanced Graph Neural Networks Open access

Michaël Fanuel, Antoine Aspeel, Michael T. Schaub, Jean‐Charles Delvenne

0

citations
Age-dependent genetic variants associated with longitudinal changes in brain structure across the lifespan
2020 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology Genetic Associations and Epidemiology Open access

Rachel M. Brouwer, Marieke Klein, Katrina L. Grasby, Hugo Gerard Schnack, Neda Jahanshad, Jalmar Teeuw, +94 more

11

citations
MITE: the Minimum Information about a Tailoring Enzyme database for capturing specialized metabolite biosynthesis
2025 ChemRxiv preprint Medicine Microbial Natural Products and Biosynthesis Open access

Adriano Rutz, Daniel Probst, César Aguilar, Daniel Yuri Akiyama, Fabrizio Alberti, Hannah E. Augustijn, +40 more

1

citations
Permutation-based multiple testing when fitting many generalized linear models
2024 arXiv (Cornell University) preprint Mathematics Statistical Methods and Inference Open access

Riccardo De Santis, Jelle J. Goeman, Samuel Davenport, Jesse Hemerik, Livio Finos

0

citations
Evolving Executable Pipeline Programs for AutoML with Language Models
2026 arXiv (Cornell University) preprint Computer Science Machine Learning and Data Classification Open access

Sofoklis Kitharidis, Cor J. Veenman, Jan N. van Rijn, Thomas Bäck, Bas van Stein

0

citations
Life on the edge: a new toolbox for population-level climate change vulnerability assessments
2023 bioRxiv (Cold Spring Harbor Laboratory) preprint Environmental Science Species Distribution and Climate Change Open access

Christopher D. Barratt, Renske E. Onstein, Malin L. Pinsky, Sebastian Steinfartz, Hjalmar S. Kühl, Brenna R. Forester, +1 more

5

citations
Trans-sectoral patient pathways in urgent and emergency care: a Study Protocol for a prospective mixed-methods study in Germany (TRANSPARENT Study)
2025 medRxiv preprint Medicine Emergency and Acute Care Studies Open access

Jonas Bienzeisler, Miriam Hertwig, Hauke Heidemeyer, Mohamed Alhaskir, Raphael W. Majeed, Alexander Kombeiz, +22 more

0

citations
Mega-Analysis Methods in ENIGMA: The Experience of the Generalized Anxiety Disorder Working Group
2020 preprint Neuroscience Functional Brain Connectivity Studies

André Zugman, Anita Harrewijn, Elise M. Cardinale, Hannah Zwiebel, Gabrielle Felice Freitag, Katy E. Werwath, +77 more

14

citations
CHEQ-ing the Box: Safe Variable Impedance Learning for Robotic Polishing
2025 arXiv (Cornell University) preprint Computer Science Reinforcement Learning in Robotics Open access

Emma Cramer, Lukas Jäschke, Sebastian Trimpe

0

citations
A Digitally Competent Health Workforce: Scoping Review of Educational Frameworks (Preprint)
2020 preprint Computer Science Digital literacy in education

Nuraini Nazeha, Deepali Pavagadhi, Bhone Myint Kyaw, Josip Car, Gerónimo Jiménez, Lorainne Tudor Car

1

citations
Deriving models of change with interpretable parameters: linear estimation with nonlinear inference
2023 preprint Mathematics Statistical Methods and Bayesian Inference Open access

Ethan Michael McCormick

4

citations
Adaptive greedy algorithm for moderately large dimensions in kernel conditional density estimation
2021 arXiv (Cornell University) preprint Mathematics Statistical Methods and Inference Open access

Minh-Lien Jeanne Nguyen, Claire Lacour, Vincent Rivoirard

2

citations
TopoEmbedX: A General Framework for Representation Learning on Topological Domains
2026 arXiv (Cornell University) preprint Computer Science Topological and Geometric Data Analysis Open access

Florian Frantzen, Ibrahem ALJabea, Inês Bonacho dos Anjos Henriques-Cadby, Theodore Papamarkou, Mustafa Hajij, Michael T. Schaub

0

citations