Marc Bianciotto

Sanofi (France) — France

Computer Science · Physical Sciences

13h-index965citations47works1.62yr avg
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Research Topics

Computational Drug Discovery Methods(27), Protein Structure and Dynamics(18), Machine Learning in Materials Science(17), Chemical Synthesis and Analysis(6), Fibroblast Growth Factor Research(5)

Publications47 total

RetroDMTA: Back to the Future of Lead Optimization
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
RetroDMTA: Back to the Future of Lead Optimization
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Antibody CDR-H3 loop flexibility: Insights from X-ray crystallography, structural bioinformatics, and the limits of current deep learning methods
SSRN Electronic Journal·2026Open Access
Harnessing Medicinal Chemical Intuition from Collective Intelligence
Journal of Medicinal Chemistry·2025· 2 citedOpen Access
Many-Shot In-Context Learning for Molecular Inverse Design
arXiv (Cornell University)·2024Open Access
Harnessing Medicinal Chemical Intuition from Collective Intelligence
Research Square (Research Square)·2024· 1 citedOpen Access
Harnessing Medicinal Chemical Intuition from Collective Intelligence
2024· 2 citedOpen Access
Author Response: Deep Batch Active Learning for Drug Discovery
2024Open Access
Deep Batch Active Learning for Drug Discovery
2024· 8 citedOpen Access
Balancing exploration and exploitation in <i>de novo</i> drug design
Digital Discovery·2024· 3 citedOpen Access
Author Response: Deep Batch Active Learning for Drug Discovery
2023Open Access
Deep Batch Active Learning for Drug Discovery
2023· 4 citedOpen Access
Deep Batch Active Learning for Drug Discovery
2023· 2 citedOpen Access
Deep Batch Active Learning for Drug Discovery
2023· 4 citedOpen Access
Autoencoders for dimensionality reduction in molecular dynamics: Collective variable dimension, biasing, and transition states
The Journal of Chemical Physics·2023· 12 citedOpen Access
Impact of Applicability Domains to Generative Artificial Intelligence
ACS Omega·2023· 27 citedOpen Access
Autoencoders for dimensionality reduction in molecular dynamics: collective variable dimension, biasing and transition states
arXiv (Cornell University)·2023Open Access
AI4DR: Development and implementation of an annotation system for high-throughput dose-response experiments
Artificial Intelligence in the Life Sciences·2023· 1 citedOpen Access
Impact of applicability domains to generative artificial intelligence
2022· 8 citedOpen Access
Explaining and avoiding failure modes in goal-directed generation of small molecules
Journal of Cheminformatics·2022· 34 citedOpen Access
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Frequent Co-authors

Hervé Minoux(15), Pablo Mas(12), Paraskevi Gkeka(10), Maxime Langevin(9), Christoph Grebner(9), Hans Matter(9), Michael Bailey(7), Saeed Moayedpour(7), Alejandro Corrochano-Navarro(7), Lorenzo Kogler-Anele(7), Gerhard Heßler(7), Ziv Bar‐Joseph(7), Sven Jäger(7), Bruno Filoche-Rommé(7), Daria B. Kokh(6), Rebecca C. Wade(6), Francesco Luigi Gervasio(6), Rodolphe Vuilleumier(6), Ruijiang Li(6), Alexander Kötter(6)