Papers matching “activity coefficient prediction” 62
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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 -
Abstract PD5-08: Tumor immune-cell activity assessed by RNAseq is an independent predictor of therapy response and prognosis after neoadjuvant chemotherapy in HER2 negative breast cancer patients - An analysis of the GeparSepto trial2020 Cancer Research conference-abstract Biochemistry, Genetics and Molecular Biology Breast Cancer Treatment Studies cited by 1 patent
Peter Andreas Fasching, Carsten Denkert, Stephen Charles Benz, Karsten Ernst Weber, Christopher W. Szeto, Jan Budczies, +17 more
1citations -
External validation and further exploration of fall prediction models based on questionnaires and daily-life trunk accelerometry2022 bioRxiv (Cold Spring Harbor Laboratory) preprint 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
1citations -
Predicting solvation free energies for neutral molecules in any solvent with openCOSMO-RS2024 arXiv (Cornell University) preprint Physics and Astronomy Advanced Chemical Physics Studies Open access
Simon Müller, Thomas Nevolianis, Miquel García‐Ratés, Christoph Riplinger, Kai O. Leonhard, Irina V. Smirnova
0citations -
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 -
ABS0718 AGE AS THE MAIN PREDICTOR FOR RHEUMATOID ARTHRITIS INITIAL TREATMENT: A MACHINE LEARNING ANALYSIS USING DATA FROM METEOR REGISTRY2025 Annals of the Rheumatic Diseases conference-abstract Medicine Rheumatoid Arthritis Research and Therapies Open access
David Vega‐Morales, Sytske Anne Bergstra, A Chopra, Wendy Marisol Orzúa-de la Fuente, Pedro Machado, Elsa Vieira‐Sousa, +1 more
0citations -
OP0386 PREDICTORS OF PRESENTEEISM OVER TIME IN INDIVIDUALS WITH INFLAMMATORY AND NON-INFLAMMATORY ARTHRITIS2025 Annals of the Rheumatic Diseases conference-abstract Health Professions Workplace Health and Well-being Open access
Vanessa G. Macintyre, Annelies E. R. C. H. Boonen, Diane V. Lacaille, S. Wilkinson, Mark Lunt, Stephanie J. W. Shoop-Worrall, +10 more
0citations