Applying Deep-Learning-Driven <i>De Novo</i> Design to Hit Identification: A Case Study on A <sub>2A</sub> Adenosine Receptor Antagonists

Margherita Persico, Alessandra Micoli, Veronica Salmaso, Agostino Cianciulli, Stefano Moro, Giampiero Spalluto, Michela Buccioni, Gabriella Marucci, Rosaria Volpini, Alfonso Pozzan, Fabrizio Micheli, Stephanie Federico

Open source

DOI
10.1021/acs.jmedchem.6c00231
Published
2026-06-19
Container
Journal of Medicinal Chemistry
Publisher
American Chemical Society (ACS)
Open access
unknown

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BibTeX

@article{allodium:10.1021/acs.jmedchem.6c00231,
  title = {Applying Deep-Learning-Driven
                    <i>De Novo</i>
                    Design to Hit Identification: A Case Study on A
                    <sub>2A</sub>
                    Adenosine Receptor Antagonists},
  author = {Margherita Persico and Alessandra Micoli and Veronica Salmaso and Agostino Cianciulli and Stefano Moro and Giampiero Spalluto and Michela Buccioni and Gabriella Marucci and Rosaria Volpini and Alfonso Pozzan and Fabrizio Micheli and Stephanie Federico},
  year = {2026},
  journal = {Journal of Medicinal Chemistry},
  doi = {10.1021/acs.jmedchem.6c00231},
  url = {https://doi.org/10.1021/acs.jmedchem.6c00231}
}

RIS

TY  - JOUR
TI  - Applying Deep-Learning-Driven
                    <i>De Novo</i>
                    Design to Hit Identification: A Case Study on A
                    <sub>2A</sub>
                    Adenosine Receptor Antagonists
AU  - Margherita Persico
AU  - Alessandra Micoli
AU  - Veronica Salmaso
AU  - Agostino Cianciulli
AU  - Stefano Moro
AU  - Giampiero Spalluto
AU  - Michela Buccioni
AU  - Gabriella Marucci
AU  - Rosaria Volpini
AU  - Alfonso Pozzan
AU  - Fabrizio Micheli
AU  - Stephanie Federico
PY  - 2026
JO  - Journal of Medicinal Chemistry
DO  - 10.1021/acs.jmedchem.6c00231
UR  - https://doi.org/10.1021/acs.jmedchem.6c00231
ER  - 

APA

Persico, M., Micoli, A., Salmaso, V., Cianciulli, A., Moro, S., Spalluto, G., Buccioni, M., Marucci, G., Volpini, R., Pozzan, A., Micheli, F., & Federico, S. (2026). Applying Deep-Learning-Driven <i>De Novo</i> Design to Hit Identification: A Case Study on A <sub>2A</sub> Adenosine Receptor Antagonists. Journal of Medicinal Chemistry. https://doi.org/10.1021/acs.jmedchem.6c00231

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