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Francesca Grisoni

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Open access Oct 2026

Generalizing Protein Fitness Prediction Across Distribution Shifts via Structural and Co-evolutionary Priors

Protein fitness prediction is essential for protein engineering. Recent fitness-landscape benchmarks such as FLIP2 have shown that methods performing well under conventional train–test splits can fail when the test set is shifted out of distribution (OOD), including mutations at unseen positions and variants from unsee...

Nopsinth Vithayapalert, Maytus Piriyajitakonkij, Francesca Grisoni · 0 citations
Review Aug 2026

Artificial intelligence in drug discovery - what it is, where we stand and the path forward.

Recommendations are provided for the development of AI in drug discovery with the aim of increasing its translational relevance, including benchmarking studies of AI tools in drug discovery need to move on from model validation and instead focus on their ability to improve decision making.

Andreas Bender, Morgan C. Thomas, J. Scannell et al. · 10 citations

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