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Chemical Science
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October 21, 2024
Thermodynamics-consistent graph neural networks
Jan G Rittig, Alexander Mitsos
Journal of Cheminformatics
|
August 9, 2025
Multi-fidelity graph neural networks for predicting toluene/water partition coefficients
Thomas Nevolianis, Jan G Rittig, Alexander Mitsos, et al.
Journal of Chemical Theory and Computation
|
June 26, 2024
Predicting the Temperature Dependence of Surfactant CMCs Using Graph Neural Networks
Christoforos Brozos, Jan G Rittig, Sandip Bhattacharya, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 3) with videos related to
Sort By:
Page
of 1
Chemical Science
|
October 21, 2024
Thermodynamics-consistent graph neural networks
Jan G Rittig, Alexander Mitsos
Journal of Cheminformatics
|
August 9, 2025
Multi-fidelity graph neural networks for predicting toluene/water partition coefficients
Thomas Nevolianis, Jan G Rittig, Alexander Mitsos, et al.
Journal of Chemical Theory and Computation
|
June 26, 2024
Predicting the Temperature Dependence of Surfactant CMCs Using Graph Neural Networks
Christoforos Brozos, Jan G Rittig, Sandip Bhattacharya, et al.
Page
of 1