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Nature Communications
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July 18, 2024
Inverse mapping of quantum properties to structures for chemical space of small organic molecules
Alessio 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 modeling
Alessio 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 molecules
Leonardo Medrano Sandonas, Dries Van Rompaey, Alessio Fallani, 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
Nature Communications
|
July 18, 2024
Inverse mapping of quantum properties to structures for chemical space of small organic molecules
Alessio 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 modeling
Alessio 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 molecules
Leonardo Medrano Sandonas, Dries Van Rompaey, Alessio Fallani, et al.
Page
of 1