Juan I. Di Filippo

Consejo Nacional de Investigaciones Científicas y Técnicas — Argentina

Computer Science · Physical Sciences

7h-index410citations9works2.02yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Computational Drug Discovery Methods(9), Machine Learning in Materials Science(4), Protein Structure and Dynamics(3), Microbial Natural Products and Biosynthesis(2), Genetics, Bioinformatics, and Biomedical Research(2)

Publications9 total

Assessing the Robustness and Scalability of Machine Learning Methods to Accelerate Ultralarge High-Throughput Docking Campaigns
ACS Omega·2025Open Access
Lessons learnt from machine learning in early stages of drug discovery
Expert Opinion on Drug Discovery·2024· 4 citedOpen Access
The Impact of Supervised Learning Methods in Ultralarge High-Throughput Docking
Journal of Chemical Information and Modeling·2023· 29 cited
How good are AlphaFold models for docking-based virtual screening?
iScience·2022· 172 citedOpen Access
How good are AlphaFold models for docking-based virtual screening?
2022· 10 citedOpen Access
Guided structure-based ligand identification and design via artificial intelligence modeling
Expert Opinion on Drug Discovery·2021· 11 cited
A Machine Learning Model to Predict Drug Transfer Across the Human Placenta Barrier
Frontiers in Chemistry·2021· 22 citedOpen Access
Artificial intelligence in the early stages of drug discovery
Archives of Biochemistry and Biophysics·2020· 57 cited
<i>In silico</i> Drug Repurposing for COVID‐19: Targeting SARS‐CoV‐2 Proteins through Docking and Consensus Ranking
Molecular Informatics·2020· 105 citedOpen Access

Frequent Co-authors

Claudio N. Cavasotto(9), Valeria Scardino(3), Mariela Bollini(1), Santiago Rómoli(1)