Francesca Grisoni

26 papers C 2Journal 24

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	Generative Deep Learning for de Novo Drug Design─A Chemical Space Odyssey. J. Chem. Inf. Model. Riza Özçelik, Helena Brinkmann, Emanuele Criscuolo, Francesca Grisoni
2025	J	`jnl`	How evaluation choices distort the outcome of generative drug discovery. J. Cheminformatics Riza Özçelik, Francesca Grisoni
2025	C	`conf`	Improving the Efficiency and the Validity of Molecular Transformers. CIBCB Leone Bacciu, Matteo Grazioso, Silvia Multari, Francesca Grisoni, Angelica Mazzolari, Marco S. Nobile
2025	J	`jnl`	Integrating genetic algorithms and language models for enhanced enzyme design. Briefings Bioinform. Yves Gaetan Nana Teukam, Federico Zipoli, Teodoro Laino, Emanuele Criscuolo, Francesca Grisoni, Matteo Manica
2025	J	`jnl`	Look the Other Way: Designing 'Positive' Molecules with Negative Data via Task Arithmetic. CoRR Riza Özçelik, Sarah de Ruiter, Francesca Grisoni
2025	J	`jnl`	Scaffold Hopping with Generative Reinforcement Learning. J. Chem. Inf. Model. Luke Rossen, Finton Sirockin, Nadine Schneider, Francesca Grisoni
2025	J	`jnl`	The Jungle of Generative Drug Discovery: Traps, Treasures, and Ways Out. CoRR Riza Özçelik, Francesca Grisoni
2024	J	`jnl`	A Hitchhiker's Guide to Deep Chemical Language Processing for Bioactivity Prediction. CoRR Riza Özçelik, Francesca Grisoni
2024	J	`jnl`	Correction to "Exposing the Limitations of Molecular Machine Learning with Activity Cliffs". J. Chem. Inf. Model. Derek van Tilborg, Alisa Alenicheva, Francesca Grisoni
2024	J	`jnl`	Effectiveness of molecular fingerprints for exploring the chemical space of natural products. J. Cheminformatics Davide Boldini, Davide Ballabio, Viviana Consonni, Roberto Todeschini, Francesca Grisoni, Stephan A. Sieber
2024	C	`conf`	Predicting Metabolic Reactions with a Molecular Transformer for Drug Design Optimization. CIBCB Silvia Multari, Riza Özçelik, Angelica Mazzolari, Marco Salvatore Nobile, Francesca Grisoni
2024	J	`jnl`	Traversing chemical space with active deep learning for low-data drug discovery. Nat. Comput. Sci. Derek van Tilborg, Francesca Grisoni
2023	J	`jnl`	Correction to "Exposing the Limitations of Molecular Machine Learning with Activity Cliffs". J. Chem. Inf. Model. Derek van Tilborg, Alisa Alenicheva, Francesca Grisoni
2023	J	`jnl`	Practical guidelines for the use of gradient boosting for molecular property prediction. J. Cheminformatics Davide Boldini, Francesca Grisoni, Daniel Kuhn, Lukas Friedrich, Stephan A. Sieber
2022	J	`jnl`	Exposing the Limitations of Molecular Machine Learning with Activity Cliffs. J. Chem. Inf. Model. Derek van Tilborg, Alisa Alenicheva, Francesca Grisoni
2022	J	`jnl`	Perplexity-Based Molecule Ranking and Bias Estimation of Chemical Language Models. J. Chem. Inf. Model. Michael Moret, Francesca Grisoni, Paul Katzberger, Gisbert Schneider
2022	J	`jnl`	Structure-based drug discovery with deep learning. CoRR Riza Özçelik, Derek van Tilborg, José Jiménez-Luna, Francesca Grisoni
2021	J	`jnl`	Geometric Deep Learning on Molecular Representations. CoRR Kenneth Atz, Francesca Grisoni, Gisbert Schneider
2021	J	`jnl`	Geometric deep learning on molecular representations. Nat. Mach. Intell. Kenneth Atz, Francesca Grisoni, Gisbert Schneider
2020	J	`jnl`	Bidirectional Molecule Generation with Recurrent Neural Networks. J. Chem. Inf. Model. Francesca Grisoni, Michael Moret, Robin Lingwood, Gisbert Schneider
2020	J	`jnl`	Consensus versus Individual QSARs in Classification: Comparison on a Large-Scale Case Study. J. Chem. Inf. Model. Cecile Valsecchi, Francesca Grisoni, Viviana Consonni, Davide Ballabio
2020	J	`jnl`	Drug discovery with explainable artificial intelligence. CoRR José Jiménez-Luna, Francesca Grisoni, Gisbert Schneider
2020	J	`jnl`	Drug discovery with explainable artificial intelligence. Nat. Mach. Intell. José Jiménez-Luna, Francesca Grisoni, Gisbert Schneider
2020	J	`jnl`	Generative molecular design in low data regimes. Nat. Mach. Intell. Michael Moret, Lukas Friedrich, Francesca Grisoni, Daniel Merk, Gisbert Schneider
2019	J	`jnl`	Machine Learning Consensus To Predict the Binding to the Androgen Receptor within the CoMPARA Project. J. Chem. Inf. Model. Francesca Grisoni, Viviana Consonni, Davide Ballabio
2016	J	`jnl`	Beware of Unreliable J. Chem. Inf. Model. Roberto Todeschini, Davide Ballabio, Francesca Grisoni