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Francesca Grisoni

institute for complex molecular systems and eindhoven ai systems institute

40H-index
201Paper Count
6.2KCitation Count
Published Papers 75
Publication Date
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Artificial intelligence in drug discovery — what it is, where we stand and the path forward
errNature Reviews Drug Discovery
IF101.8
err2026-08-07
err0
PREAI
errAndreas Bender; Morgan C. Thomas; Jack W. Scannell; David A. Shaywitz; Gian Marco Ghiandoni; Joe G. Greener; Lavinia-Lorena Pruteanu; Rachel DeVay Jacobson; Koichi Handa; Mariko Hirano; Srijit Seal; Manas Mahale; Marco F. Schmidt; Tim Ahfeldt; Francesca Grisoni; Isidro Cortes-Ciriano
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Beyond Molecular Structures: Investigating Demographic Factors in Drug-Induced Cardiotoxicity Prediction Models
errJournal of Chemical Information and Modeling
IF5.3
err2026-06-02
err0
errOAAI
errMateusz Iwan; Alessandra Roncaglioni; Francesca Grisoni
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errSave
Molecular deep learning at the edge of chemical space
errNature Machine Intelligence
IF23.9
err2026-04-22
err0
errOAAI
errDerek van Tilborg; Luke Rossen; Francesca Grisoni
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errSave
Predicting DNA Origami Stability in Physiological Media by Machine Learning
errSmall Structures
IF11.3
err2026-02-21
err0
errOAAI
errJudith Zubia-Aranburu; Andrea Gardin; Lars Paffen; Matteo Tollemeto; Ane Alberdi; Maite Termenon; Francesca Grisoni; Tania Patiño Padial
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errSave
“Visualize; Describe; Compare”─Nanoinformatics Approaches for Material-Omics
errACS Nano
IF16
err2026-01-21
err0
PREAI
errCristina Izquierdo-Lozano; Marrit M. E. Tholen; Valentina Girola; Anna Świetlikowska; Maarten Merkx; Francesca Grisoni; Lorenzo Albertazzi
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errSave
How evaluation choices distort the outcome of generative drug discovery
errJournal of Cheminformatics
IF5.7
err2025-11-18
err0
errOAAI
errRıza Özçelik; Francesca Grisoni
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errSave
Automated navigation of condensate phase behavior with active machine learning
errNature Communications
IF15.7
err2025-10-30
err0
errOAAI
errYannick H. A. Leurs; Willem van den Hout; Andrea Gardin; Joost L. J. van Dongen; Andoni Rodriguez-Abetxuko; Nadia A. Erkamp; Jan C. M. van Hest; Francesca Grisoni; Luc Brunsveld
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Enhancing deep chemical reaction prediction with advanced chirality and fragment representation
errChem. Commun.
IF4.2
err2025-08-27
err0
errOAAI
errFabrizio Mastrolorito; Fulvio Ciriaco; Orazio Nicolotti; Francesca Grisoni
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errSave
Going beyond SMILES enumeration for data augmentation in generative drug discovery
errDigital Discovery
IF5.6
err2025-08-14
err0
errOAAI
errHelena Brinkmann; Antoine Argante; Hugo ter Steege; Francesca Grisoni
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errSave
Identifying 14-3-3 interactome binding sites with deep learning
errDigital Discovery
IF5.6
err2025-08-08
err0
errOAAI
errLaura D van Weesep; Riza Ozcelik; Marloes Pennings; Emanuele Criscuolo; Christian Ottmann; Luc Brunsveld; Francesca Grisoni
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errSave
Generative Deep Learning for de Novo Drug Design─A Chemical Space Odyssey
errJournal of Chemical Information and Modeling
IF5.3
err2025-07-09
err0
PREAI
errRıza Özçelik; Helena Brinkmann; Emanuele Criscuolo; Francesca Grisoni
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errSave
Scaffold Hopping with Generative Reinforcement Learning
errJournal of Chemical Information and Modeling
IF5.3
err2025-06-26
err0
errOAAI
errLuke Rossen; Finton Sirockin; Nadine Schneider; Francesca Grisoni
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errSave
The Chemistry and Biology of the Tetrodotoxin Natural Product Family
errAngewandte Chemie International Edition
IF0
err2025-06-18
err0
errOAAI
errBenedikt Nißl; Marcel Mülbaier; Francesca Grisoni; Dirk Trauner; Marcel Bermúdez; Clemens Dialer; David B. Konrad
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errSave
fragSMILES as a chemical string notation for advanced fragment and chirality representation
errCOMMUNICATIONS CHEMISTRY
IF6.2
err2025-01-29
err0
errOAAI
errMastrolorito, Fabrizio; Ciriaco, Fulvio; Togo, Maria Vittoria; Gambacorta, Nicola; Trisciuzzi, Daniela; Altomare, Cosimo Damiano; Amoroso, Nicola; Grisoni, Francesca; Nicolotti, Orazio
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errSave
A hitchhiker's guide to deep chemical language processing for bioactivity prediction
errDIGITAL DISCOVERY
IF5.6
err2025-01-01
err0
errOAAI
errOzcelik, Riza; Grisoni, Francesca
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errSave
An explainable foundation model for drug repurposing
errNATURE MEDICINE
IF50
err2024-10-24
err0
PREAI
errBessadok, Alaa; Grisoni, Francesca
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errSave
Traversing chemical space with active deep learning for low-data drug discovery
errNATURE COMPUTATIONAL SCIENCE
IF18.3
err2024-09-27
err1
PREAI
errvan Tilborg, Derek; Grisoni, Francesca
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errSave
Chemical language modeling with structured state space sequence models
errNATURE COMMUNICATIONS
IF15.7
err2024-07-22
err2
errOAAI
errOzcelik, Riza; de Ruiter, Sarah; Criscuolo, Emanuele; Grisoni, Francesca
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errSave
Lipid discovery for mRNA delivery guided by machine learning
errNATURE MATERIALS
IF38.5
err2024-07-02
err0
PREAI
errvan der Meel, Roy; Grisoni, Francesca; Mulder, Willem J. M.
errShare
errSave
Deep learning for low-data drug discovery: Hurdles and opportunities
errCURRENT OPINION IN STRUCTURAL BIOLOGY
IF7
err2024-06-01
err9
errOAAI
errvan Tilborg, Derek; Brinkmann, Helena; Criscuolo, Emanuele; Rossen, Luke; Ozcelik, Riza; Grisoni, Francesca
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Research Directions

No research directions
Co-authors
Cooperation Journals
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Stephen Boyd
H-index: 120 · Papers: 775
T
Thomas Härtung
H-index: 102 · Papers: 851
W
William H. Gerwick
H-index: 96 · Papers: 653
R
Rolf Müller
H-index: 94 · Papers: 1.2K
J
Jan C. M. van Hest
H-index: 90 · Papers: 588
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