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QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping2020 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access
Ctibor Škuta, Isidro Cortés‐Ciriano, Wim Dehaen, Gerard J. P. van Westen, Igor V. Tetko, Andreas Bender, +1 more
50citations -
Ratatoskr: An Open-Source Framework for In-Depth Power, Performance, and Area Analysis and Optimization in 3D NoCs2021 ACM Transactions on Modeling and Computer Simulation article Computer Science Interconnection Networks and Systems
Jan Moritz Joseph, Lennart Bamberg, Imad Hajjar, Behnam Razi Perjikolaei, Alberto García-Ortiz, Thilo Pionteck
8citations -
Assess and validate predictive performance of models for in-hospital mortality in COVID-19 patients: A retrospective cohort study in the Netherlands comparing the value of registry data with high-granular electronic health records2022 International Journal of Medical Informatics article Computer Science Machine Learning in Healthcare Open access
Iacopo Vagliano, Ameen Abu–Hanna, Dave Anton Dongelmans, Dylan W. de Lange, Diederik A M P J Gommers, Olaf L. Cremer, +40 more
9citations -
A Simulation Study to Compare the Predictive Performance of Survival Neural Networks with Cox Models for Clinical Trial Data2021 Computational and Mathematical Methods in Medicine article Computer Science Machine Learning in Healthcare Open access
Georgios Kantidakis, Elia Mario Biganzoli, Hein Putter, Marta F. Fiocco
15citations -
Modeling the composition of analysis components and automatic constraint checking for semantic soundness2025 Journal of Systems and Software article Computer Science Model-Driven Software Engineering Techniques Open access
Bahareh Taghavi, Sebastian Weber, Bernhard Rumpe⋆, Sebastian Stüber, Jörg Henß, Thomas R. Weber, +1 more
3citations -
Expanding the boundaries of ligand–target modeling by exascale calculations2021 Wiley Interdisciplinary Reviews Computational Molecular Science article Computer Science Computational Drug Discovery Methods Open access
Viacheslav Bolnykh, Giulia Rossetti, Ursula Röthlisberger, Paolo Carloni
19citations -
Deep learning segmentation model for quantification of infarct size in pigs with myocardial ischemia/reperfusion2024 Basic Research in Cardiology article Computer Science Medical Image Segmentation Techniques Open access
Felix Braczko, Andreas Skyschally, Helmut Raphael Lieder, Jakob Nikolas Kather, Petra Kleinbongard, Gerd Heusch
2citations -
A comparison of modeling approaches for static and dynamic prediction of central-line bloodstream infections using electronic health records (part 1): regression models2025 Diagnostic and Prognostic Research article Computer Science Machine Learning in Healthcare Open access
Shan Gao, Elena Albu, Hein Putter, Pieter Stijnen, Frank E Rademakers, Veerle Cossey, +4 more
2citations -
Prediction of the Extent of Blood–Brain Barrier Transport Using Machine Learning and Integration into the LeiCNS-PK3.0 Model2025 Pharmaceutical Research article Computer Science Computational Drug Discovery Methods Open access
Berfin Gülave, Helle W. van den Maagdenberg, Luke van Boven, Gerard J. P. van Westen, Elizabeth C. M. de Lange, J. G. Coen van Hasselt
7citations -
A Modular Workflow for Performance Benchmarking of Neuronal Network Simulations2022 Frontiers in Neuroinformatics article Computer Science Parallel Computing and Optimization Techniques Open access
Jasper Albers, Jari Pronold, Anno Christopher Kurth, Stine Brekke Vennemo, Kaveh Haghighi Mood, Alexander Patronis, +6 more
15citations -
Performance Assessment and Management in Service-Oriented Architectures for Automated Driving Systems2026 IEEE Open Journal of Intelligent Transportation Systems article Computer Science Advanced Software Engineering Methodologies Open access
Richard Schubert, Alexander Blödel, Julius Kahle, Raphael van Kempen, David Philipp Klüner, Philipp Pelcz, +10 more
0citations -
Distributed hybrid quantum-classical performance prediction for hyperparameter optimization2024 Quantum Machine Intelligence article Computer Science Quantum Computing Algorithms and Architecture Open access
Eric Wulff, Juan Pablo García Amboage, Marcel Aach, Þorsteinn Elí Gíslason, Thorsteinn Kristinn Ingolfsson, Tomas Kristinn Ingolfsson, +6 more
4citations -
Analyzing Cancer Patients' Experiences with Embedding-based Topic Modeling and LLMs2026 Computational Linguistics in the Netherlands Journal article Computer Science Topic Modeling Open access
Teodor-Călin Ionescu, Lifeng Han, Jan Heijdra Suasnabar, Anne Margarethe Stiggelbout, Suzan Verberne
0citations -
Successive Statistical and Structure-Based Modeling to Identify Chemically Novel Kinase Inhibitors2020 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Lindsey Burggraaff, Eelke Bart Lenselink, Willem Jespers, Jesper E. van Engelen, Brandon J. Bongers, Marina Gorostiola González, +5 more
13citations -
Using Machine Learning Methods to Assess Module Performance Contribution in Modular Optimization Frameworks2024 Evolutionary Computation article Computer Science Metaheuristic Optimization Algorithms Research Open access
Ana Kostovska, Diederick Vermetten, Peter Korošec, Sašo Džeroski, Carola Doerr, Tome Eftimov
6citations