Services
I work with pharmaceutical and biotech teams to design machine learning workflows for drug discovery. Whether you need a one-off analysis, a modelling pipeline, or ongoing scientific advisory, I can help.
Molecular Property Prediction
Building machine learning models to predict biological activity, toxicity, or ADME properties from molecular structure. Designing workflows to track models trained, their expected performance and impact on key impact metrics for drug discovery projects
ML Model Interpretation & Explainability
Making black-box models understandable — identifying which structural features drive predictions, flagging unreliable predictions, and generating actionable insights for medicinal chemistry teams.
De-novo Drug Design
Implement computational chemical ideation engines, using traditional chemoinformatic techniques and generative models, to provide high quality molecular candidates for synthesis and evaluation.
Chemoinformatics Pipeline Development
Designing and implementing end-to-end chemoinformatics workflows: molecular fingerprint generation, chemical space analysis, virtual screening pipelines, and matched molecular pair analysis.
Scientific Consulting & Advisory
Strategic guidance on ML and cheminformatics approaches for your drug discovery programme. Includes literature review, method selection, and review of existing models or analyses.
Teaching ML and Cheminformatics
Workshops and training sessions for research teams — from introductory machine learning for chemists to advanced topics in interpretable AI and foundational models for drug design.
Let's work together
Book a free 30-minute intro call to discuss your project.