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Journal of Chemical Theory and Computation|July 18, 2023
Unlocking the Potential: Predicting Redox Behavior of Organic Molecules, from Linear Fits to Neural NetworksRostislav Fedorov, Ganna Gryn'ova
Journal of Chemical Information and Modeling|January 12, 2026
Multi-Solvent Graph Neural Network for Reduction Potential Prediction Across the Chemical SpaceRostislav Fedorov, Anastasiia Nihei, Ganna Gryn'ova
Materials Chemistry Frontiers|December 10, 2025
Fragment to framework: automatic fragmentation of covalent organic frameworks into building blocks for band gap analysisMichelle Ernst, Rostislav Fedorov, Alessandro Calzolari, et al.
Plos One|July 22, 2025
Demonstration of bioplastic production from CO2 and formate using the reductive glycine pathway in E. coliDaria Fedorova, Roee Ben-Nissan, Eliya Milshtein, et al.
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