Papers matching “computational methods” 4,837
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IMI European Lead Factory — democratizing access to high-throughput screening2021 Nature Reviews Drug Discovery article Computer Science Computational Drug Discovery Methods Open access
Philip S. Jones, Sylviane Boucharens, Stuart P. McElroy, Angus J. Morrison, Saman Honarnejad, Stan van Boeckel, +58 more
4citations -
Beyond the Explicit: A Bilingual Dataset for Dehumanization Detection in Social Media2026 Findings of the Association for Computational Linguistics: EMNLP (Findings of EMNLP) conference-paper Computer Science Hate Speech and Cyberbullying Detection Open access
Dennis Assenmacher, Katarina Laken, David Jurgens, Claudia Wagner
4citations -
A Data-Driven Reduced Order Modeling Approach Applied in Context of Numerical Analysis and Optimization of Plastic Profile Extrusion4citations
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A structural machine learning approach for rapid prediction of thermodynamically destabilizing tyrosine phosphorylations2025 Cell Reports Methods article Biochemistry, Genetics and Molecular Biology Machine Learning in Bioinformatics Open access
Jaie C. Woodard, Atena Malemir Chegini, Jian Tian, Rupa Bhowmick, Subramaniam Pennathur, Alireza Mashaghi, +2 more
4citations -
Determining local distribution of convective heat transfer coefficients on the tool during orthogonal cutting2025 International Journal of Numerical Methods for Heat & Fluid Flow article Engineering Advanced machining processes and optimization
Julius Wilker, Tim Göttlich, Thorsten Helmig, Rafael Solana Gomez, Hossein Askarizadeh, Reinhold Kneer
4citations -
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 -
Sensitivity of patient-specific physiological and pathological aortic hemodynamics to the choice of outlet boundary condition in numerical models2025 Computer Methods and Programs in Biomedicine Update article Medicine Aortic Disease and Treatment Approaches Open access
Tianai Wang, Christine Quast, Florian Bönner, Tobias Zeus, Malte Kelm, Teresa Lemainque, +2 more
3citations -
Numerical Modelling of Fluid-Structure Interaction for Thermal Buckling in Hypersonic Flow2020 Notes on numerical fluid mechanics and multidisciplinary design book-chapter Engineering Computational Fluid Dynamics and Aerodynamics Open access
Katharina Martin, Dennis Daub, Burkard Esser, Ali Gülhan, Stefanie Reese
3citations -
IMERGE-FEP: Improving Relative Free Energy Calculation Convergence with Chemical Intermediates2025 The Journal of Physical Chemistry B article Pharmacology, Toxicology and Pharmaceutics Computational Drug Discovery Methods Open access
Linde Schoenmaker, Daan A. Jiskoot, Jenke Scheen, Evien Cheng, Vytautas Gapsys, David F. Hahn, +4 more
3citations -
A Community Challenge for Pancancer Drug Mechanism of Action Inference from Perturbational Profile Data2021 SSRN Electronic Journal preprint Computer Science Computational Drug Discovery Methods Open access
Eugene F. Douglass, Robert J. Allaway, Bence Szalai, Wenyu Wang, Tingzhong Tian, Adrià Fernández‐Torras, +22 more
3citations -
Collaborative SAR Modeling and Prospective In Vitro Validation of Oxidative Stress Activation in Human HepG2 Cells2023 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Olivier J. M. Béquignon, José Carlos Gómez-Tamayo, Eelke Bart Lenselink, Steven Wink, Steven W. Hiemstra, Chi Chung Lam, +6 more
3citations