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Alessio Fallani

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Nature Communications|July 18, 2024
Inverse mapping of quantum properties to structures for chemical space of small organic moleculesAlessio Fallani, Leonardo Medrano Sandonas, Alexandre Tkatchenko
Journal of Cheminformatics|February 27, 2025
Pretraining graph transformers with atom-in-a-molecule quantum properties for improved ADMET modelingAlessio Fallani, Ramil Nugmanov, Jose Arjona-Medina, et al.
Scientific Data|July 7, 2024
Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like moleculesLeonardo Medrano Sandonas, Dries Van Rompaey, Alessio Fallani, et al.
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Showing results (1-10 of 3) with videos related to

Sort By:
Pageof 1
Nature Communications|July 18, 2024
Inverse mapping of quantum properties to structures for chemical space of small organic moleculesAlessio Fallani, Leonardo Medrano Sandonas, Alexandre Tkatchenko
Journal of Cheminformatics|February 27, 2025
Pretraining graph transformers with atom-in-a-molecule quantum properties for improved ADMET modelingAlessio Fallani, Ramil Nugmanov, Jose Arjona-Medina, et al.
Scientific Data|July 7, 2024
Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like moleculesLeonardo Medrano Sandonas, Dries Van Rompaey, Alessio Fallani, et al.
Pageof 1