Roberto F
Senior Scientist CADD Computational Medicinal Chemist Drug Discoverer
Antwerp, Antwerp, Belgium
Summary
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Senior🎓
Top SchoolRoberto F is a Senior CADD Scientist and computational medicinal chemist with nine years of experience applying chemoinformatics, molecular modeling, and AI-driven methods to drug discovery. Currently at Johnson & Johnson Innovative Medicine, he combines hands-on ligand design and docking/HTVS expertise with Python-based tool development (rdkit, PyTorch, scikit-learn) and KNIME workflow automation. His background spans academia and industry—from an MSCA PhD fellowship developing ML analyses for NMR fragment screening to leading development of production-ready tools like AcePrep and Generative on PlayMolecule. Comfortable bridging research, software engineering, and project leadership, he excels at turning virtual experiments into testable chemistry. Outside the lab he’s a storyteller and bass player, reflecting a creative approach to problem solving.
9 years of coding experience
6 years of employment as a software developer
Master's degree Organic and Computational Chemistry, Master's degree Organic and Computational Chemistry at Università degli Studi di BariDoctor of Philosophy - PhD Chemistry, Doctor of Philosophy - PhD Chemistry at Technical University of Munich
Dutch, German, Spanish, Italian, English
Github Skills (32)
rdkit10
discriminator10
smote10
cheminformatics10
python9
spectrum9
fragment7
chemistry7
proteins7
bioinformatics6
machine-learning6
materials-informatics6
toolbox6
molecule5
docking4
Programming languages (5)
Github contributions (5)
rubbs14/CSP-Analyzer
Dec 2019 - Dec 2022
A fast and efficient multi-spectrum anlayzer for 2-D NMR Fragment Screening based on SMOTE-ENN machine-learning discriminator.
Contributions:3 releases, 15 commits, 11 PRs in 3 years
smotenmrfragmentscreeningdiscriminator
rubbs14/MolGpKa
Nov 2021 - Feb 2022
The graph-convolutional neural network for pka prediction
Contributions:14 pushes in 2 months
the-graphgraph-convolutional-networkspredictiondeep-learningconvolutional-neural-network
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