Francesca Grisoni

1. Structure-based drug discovery with deep learning
   2022/12/26 by Rıza Özçelik, Derek van Tilborg, Özçelik, Rıza +5 · 2 citations
   Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Biomolecules (q-bio.BM) #Computational Drug Discovery Methods #FOS: Biological sciences #FOS: Computer and information sciences #Genetics, Bioinformatics, and Biomedical Research #Machine Learning (cs.LG) #Machine Learning in Materials Science
2. How evaluation choices distort the outcome of generative drug discovery
   2024/12/24 by Rıza Özçelik, Özçelik, Rıza, Francesca Grisoni +1 · 2 voices · 2 citations
   Computer Science · Materials Science · Biochemistry, Genetics and Molecular Biology · #Computational Drug Discovery Methods #Machine Learning in Materials Science #Protein Structure and Dynamics
3. Going beyond SMILES enumeration for generative deep learning in low data regimes
   2025/01/17 by Helena Brinkmann, Antoine Argante, Hugo ter Steege +1 · 1 voice · 1 citation
   Computer Science · Engineering · #Big Data and Digital Economy #Ferroelectric and Negative Capacitance Devices #Parallel Computing and Optimization Techniques