Selected publications
- Obrezanova et al, Molecular Pharmaceutics (2022) – Prediction of In Vivo Pharmacokinetic Parameters and Time–Exposure Curves in Rats Using Machine Learning from the Chemical Structure (With AstraZeneca and Optibrium)
- Tse et al, J Med Chem (2021) – An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel Antimalarials (Open Source Malaria competition)
- Irwin et al, Applied AI Letters (2021) – Deep imputation on large-scale drug discovery data (with Takeda and Optibrium)
- Whitehead et al, J. Chem. Inf. Model. (2019) – Imputation of assay bioactivity data using deep learning
Further information
Alchemite™ machine learning for:
- Drug discovery
- Translational medicine
- Clinical studies
- Pharmaceutical formulation and manufacturing
- Design of experiments
Blog articles
