Papers matching “activity coefficient prediction” 42
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Graph neural networks for temperature-dependent activity coefficient prediction of solutes in ionic liquids2023 Computers & Chemical Engineering article Chemical Engineering Ionic liquids properties and applications Open access
Jan G. Rittig, Karim Ben Hicham, Artur M. Schweidtmann, Manuel Dahmen, Alexander Mitsos
86citations -
Graph Neural Networks for Temperature-Dependent Activity Coefficient Prediction of Solutes in Ionic Liquids2022 RWTH Publications (RWTH Aachen) article Chemical Engineering Ionic liquids properties and applications Open access
Jan G. Rittig, Karim Ben Hicham, Artur M. Schweidtmann, Manuel Dahmen, Alexander Mitsos
2citations -
Development of a Quasi–Quantitative Structure–Activity Relationship Model for Prediction of the Immobilization Response of Daphnia magna Exposed to Metal-Based Nanomaterials2022 Environmental Toxicology and Chemistry article Environmental Science Environmental Toxicology and Ecotoxicology Open access
Warisa Bunmahotama, Martina G. Vijver, Willie J.G.M. Peijnenburg
11citations -
Baseline serum levels of cross-linked carboxy-terminal telopeptide of type I collagen predict abatacept treatment response in methotrexate-naive, anticitrullinated protein antibody-positive patients with early rheumatoid arthritis
Chun‐Ying Wu, Yanhua Hu, Peter H Schafer, Seán Connolly, Robert L. Wong, Signe Holm Nielsen, +8 more
4citations -
Accurate Prediction of GPCR Ligand Binding Affinity with Free Energy Perturbation2020 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods cited by 4 patents
Francesca Deflorian, Laura Pérez‐Benito, Eelke Bart Lenselink, Miles Congreve, Herman van Vlijmen, Jonathan S. Mason, +2 more
88citations -
External Validation and Further Exploration of Fall Prediction Models Based on Questionnaires and Daily-Life Trunk Accelerometry2024 Journal of the American Medical Directors Association article Health Professions Balance, Gait, and Falls Prevention Open access
Yuge Zhang, Roel H. A. Weijer, Kimberley S. van Schooten, Sjoerd Matthijs Bruijn, Mirjam A. G. M. Pijnappels
4citations -
Cognitive reactivity compared to other risk factors in the prediction of depressive episodes over two and nine years: a longitudinal cohort study2025 International Journal of Psychiatry in Clinical Practice article Psychology Anxiety, Depression, Psychometrics, Treatment, Cognitive Processes Open access
Ericka C. Solis, Ingrid V. E. Carlier, Robert A. Schoevers, Brenda W.J.H. Penninx, Albert M. van Hemert, Willem A. J. van der Does
1citations -
Predicting solvation free energies for neutral molecules in any solvent with openCOSMO-RS2024 Fluid Phase Equilibria article Physics and Astronomy Advanced Chemical Physics Studies Open access
Simon Müller, Thomas Nevolianis, Miquel García‐Ratés, Christoph Riplinger, Kai O. Leonhard, Irina V. Smirnova
41citations -
Estimation of Gait Mechanics Based on Simulated and Measured IMU Data Using an Artificial Neural Network2020 Frontiers in Bioengineering and Biotechnology article Engineering Gait Recognition and Analysis Open access cited by 2 patents
Marion Mundt, Arnd Koeppe, Sina David, Tom Witter, Franz Bamer, Wolfgang Potthast, +1 more
172citations -
Fitting ambiguities mask deficiencies of the Debye–Hückel theory: revealing inconsistencies of the Poisson–Boltzmann framework and permittivity2025 Physical Chemistry Chemical Physics article Chemistry Electrostatics and Colloid Interactions Open access
Benjamin Janotta, Maximilian Schalenbach, Hermann Tempel, Rüdiger‐A. Eichel
4citations -
Diffusion Kinetics of Ba Cations in Perovskite BaTiO3: A Combined Tracer Diffusion and Metadynamics Study2026 Chemistry of Materials article Materials Science Ferroelectric and Piezoelectric Materials Open access
Sylvia Koerfer, Bianca Dißmann, Norman Schier, Han‐Ill Yoo, Manfred Martin, Roger A. De Souza
0citations