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Large-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFE
Journal of Chemical Information and Modeling
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Plagiarism of ideas in the age of generative artificial intelligence
Nature Machine Intelligence
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Scientometrics
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Multiple imputation based on the support vector machine for high-dimensional data with general missing patterns in causal inference
Journal of Statistical Computation and Simulation
2026-05-24
Fast Fourier Transform Enables Automated Parametrization of Complex Dihedral Potentials in All-Atom and Coarse-Grained Force Fields
Journal of Chemical Information and Modeling
2026-05-21
Stop ‘tokenmaxxing’ and deploy AI sensibly instead
Nature Machine Intelligence
2026-05-23
SpecGP as a transformer-based model for predicting energy-adaptable structural spectra of glycopeptides
Nature Machine Intelligence
2026-05-23
Bond polytope under vertex- and edge-sums
Journal of Combinatorial Optimization
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Towards more accurate very short-range flood forecasts with physics-enhanced machine learning models
Journal of Hydroinformatics
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Print versus Digital Reading in an Era of Digital Immersion (2019 and 2024): Eye-Tracking Evidence on Reading Strategies and Comprehension
Computers & Education
2026-05-19
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