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Alessio Fallani

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2025
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  - journals/jcheminf/FallaniNAWTC25
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Alessio Fallani, Ramil I. Nugmanov, Jose A. Arjona-Medina, Jörg Kurt Wegner, Alexandre Tkatchenko, Kostiantyn Chernichenko:
Pretraining graph transformers with atom-in-a-molecule quantum properties for improved ADMET modeling. J. Cheminformatics 17(1): 25 (2025)
2024
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  - conf/icann/FallaniACNWT24
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Alessio Fallani, José Antonio Arjona-Medina, Konstantin Chernichenko, Ramil I. Nugmanov, Jörg Kurt Wegner, Alexandre Tkatchenko:
Atom-Level Quantum Pretraining Enhances the Spectral Perception of Molecular Graphs in Graphormer. AIDD@ICANN 2024: 71-81
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  - journals/corr/abs-2410-08024
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Alessio Fallani, Ramil I. Nugmanov, Jose A. Arjona-Medina, Jörg Kurt Wegner, Alexandre Tkatchenko, Kostiantyn Chernichenko:
Pretraining Graph Transformers with Atom-in-a-Molecule Quantum Properties for Improved ADMET Modeling. CoRR abs/2410.08024 (2024)

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