Professional experiences
- Support NICEATM
- Develop carcinogenicity and mutagenicity models using modern AI, including multi-task deep learning
- Support generative chemistry AI: oracle selection, output analysis, fine-tuning, and benchmarking datasets; Python library development
- Support software such as OrbiTox and NICE
- Develop agentic tools with LLM orchestration
- Project and individual management
- Support NICEATM — PFAS group and scientific lead of the Integrated Chemical Environment (ICE)
- Class-based read-across on flame retardants
- Developer and scientific advisor for BioBricks.ai
- Analysis of high-throughput screening data from the ToxCast/Tox21 US program
- KNIME workflows for regulatory purposes, PBTK modeling, and data formatting
- Management of the cheminformatics team
- QSAR models using deep learning for chemicals disrupting steroidogenesis
- Mixture risk assessment models for combined chemical exposures
- Enhance the PFAS-Exchange platform using Ruby
- Bioinformatics support: non-targeted analysis, population modeling, differential gene expression
January 2020 – June 2021: Independent consultant
- Built a consulting company, including accounting and administration
- QSAR models for carcinogenicity
- Chemical space analysis using ChemMaps.com for environmental chemicals
- Support development of a population-specific anti-diabetic drug
January 2018 – January 2020: Post-doctoral fellow
NIH/NIEHS | US | Supervisor: Dr. Nicole Kleinstreuer
January 2017 – January 2018: Post-doctoral researcher
- Molecular dynamics–based QSAR models on BCR-ABL kinases
- Antibiotics specific for bacterial strains
- Molecular dynamics simulations on a GPU server
- Augmented reality application for chemists
September 2012 – May 2016: Joint Ph.D. student
University Paris Cité (Paris Diderot, France) & University of Helsinki (Finland) | Supervisors: Dr. Henri Xhaard and Prof. Anne-Claude Camproux
- Druggability model PockDrug based on 3D protein pockets
- Salt-bridge molecular environments for docking and 3D modeling
- Pipelines to retrieve 3D phosphate structural isosteres
2016 (6 months): Post-doctoral researcher
University of Helsinki (Finland) | Supervisor: Dr. Henri Xhaard
- Docking scoring optimization, protein–ligand interaction profiling
2012 (7 months): Internship
University Paris Diderot (France) | Supervisor: Prof. Anne-Claude Camproux
- Statistical analysis, machine learning, discriminant analysis, tree-based methods, visualization, clustering, protein pocket characterization
2011 (5 months): Internship
Centre for Drug Research, University of Helsinki (Finland) | Supervisor: Dr. Henri Xhaard
- Data mining, statistical analysis on structural patterns, molecular interactions
2010–2011 (3 months): Internship
University Paris Diderot (France) | Supervisor: Dr. Patrick Deschavanne [retired]
- Sequence alignments, gene translocation visualization