Francesca Grisoni

According to our database, Francesca Grisoni authored at least 21 papers between 2016 and 2025.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2025

Look the Other Way: Designing 'Positive' Molecules with Negative Data via Task Arithmetic.

Riza Özçelik, Sarah de Ruiter, Francesca Grisoni

CoRR, July, 2025

The Jungle of Generative Drug Discovery: Traps, Treasures, and Ways Out.

Riza Özçelik, Francesca Grisoni

CoRR, January, 2025

Scaffold Hopping with Generative Reinforcement Learning.

Luke Rossen, Finton Sirockin, Nadine Schneider, Francesca Grisoni

J. Chem. Inf. Model., 2025

Generative Deep Learning for de Novo Drug Design─A Chemical Space Odyssey.

Riza Özçelik, Helena Brinkmann, Emanuele Criscuolo, Francesca Grisoni

J. Chem. Inf. Model., 2025

2024

Effectiveness of molecular fingerprints for exploring the chemical space of natural products.

Davide Boldini, Davide Ballabio, Viviana Consonni, Roberto Todeschini, Francesca Grisoni, Stephan A. Sieber

J. Cheminformatics, December, 2024

Traversing chemical space with active deep learning for low-data drug discovery.

Derek van Tilborg, Francesca Grisoni

Nat. Comput. Sci., October, 2024

A Hitchhiker's Guide to Deep Chemical Language Processing for Bioactivity Prediction.

Riza Özçelik, Francesca Grisoni

CoRR, 2024

Integrating genetic algorithms and language models for enhanced enzyme design.

Yves Gaetan Nana Teukam, Federico Zipoli, Teodoro Laino, Emanuele Criscuolo, Francesca Grisoni, Matteo Manica

Briefings Bioinform., 2024

Predicting Metabolic Reactions with a Molecular Transformer for Drug Design Optimization.

Silvia Multari, Riza Özçelik, Angelica Mazzolari, Marco Salvatore Nobile, Francesca Grisoni

Proceedings of the IEEE Conference on Computational Intelligence in Bioinformatics and Computational Biology, 2024

2023

Practical guidelines for the use of gradient boosting for molecular property prediction.

Davide Boldini, Francesca Grisoni, Daniel Kuhn, Lukas Friedrich, Stephan A. Sieber

J. Cheminformatics, December, 2023

Correction to "Exposing the Limitations of Molecular Machine Learning with Activity Cliffs".

Derek van Tilborg, Alisa Alenicheva, Francesca Grisoni

J. Chem. Inf. Model., April, 2023

2022

Exposing the Limitations of Molecular Machine Learning with Activity Cliffs.

Derek van Tilborg, Alisa Alenicheva, Francesca Grisoni

J. Chem. Inf. Model., 2022

Perplexity-Based Molecule Ranking and Bias Estimation of Chemical Language Models.

Michael Moret, Francesca Grisoni, Paul Katzberger, Gisbert Schneider

J. Chem. Inf. Model., 2022

Structure-based drug discovery with deep learning.

Riza Özçelik, Derek van Tilborg, José Jiménez-Luna, Francesca Grisoni

CoRR, 2022

2021

Geometric deep learning on molecular representations.

Kenneth Atz, Francesca Grisoni, Gisbert Schneider

Nat. Mach. Intell., 2021

2020

Generative molecular design in low data regimes.

Michael Moret, Lukas Friedrich, Francesca Grisoni, Daniel Merk, Gisbert Schneider

Nat. Mach. Intell., 2020

Drug discovery with explainable artificial intelligence.

José Jiménez-Luna, Francesca Grisoni, Gisbert Schneider

Nat. Mach. Intell., 2020

Consensus versus Individual QSARs in Classification: Comparison on a Large-Scale Case Study.

Cecile Valsecchi, Francesca Grisoni, Viviana Consonni, Davide Ballabio

J. Chem. Inf. Model., 2020

Bidirectional Molecule Generation with Recurrent Neural Networks.

Francesca Grisoni, Michael Moret, Robin Lingwood, Gisbert Schneider

J. Chem. Inf. Model., 2020

2019

Machine Learning Consensus To Predict the Binding to the Androgen Receptor within the CoMPARA Project.

Francesca Grisoni, Viviana Consonni, Davide Ballabio

J. Chem. Inf. Model., 2019

2016

Beware of Unreliable <i>Q</i>²! A Comparative Study of Regression Metrics for Predictivity Assessment of QSAR Models.

Roberto Todeschini, Davide Ballabio, Francesca Grisoni

J. Chem. Inf. Model., 2016