Overview
The Reker lab tightly integrates biomedical data science and wet-lab experiments for the analysis and design of therapeutic opportunities. Automated experimentation can be guided by active machine learning to generate knowledge-rich datasets. A key aspect of our research is improving our understanding of the most effective active machine learning workflows to enable the broad deployment of adaptive machine learning and automated experimentation.
We focus our adaptive model development on critical drug properties such as efficacy, biodistribution, metabolism, toxicity, and side-effects. Prospective applications of these predictions enable us to better understand limitations of currently approved medications as well as design new drug candidates, nanoparticles, and pharmaceutical formulations. By integrating clinical data analysis, we can rapidly validate the translational relevance of our predictions and conceive big data-driven protocols for precision medicine and personalized drug delivery.
Current Appointments & Affiliations
Recent Publications
Taking a deep dive with active learning for drug discovery.
Journal Article Nature computational science · October 2024 Full text CiteMachine learning trims the peptide drug design process to a sweet spot.
Journal Article Nature chemistry · September 2024 Full text CiteYoked learning in molecular data science
Journal Article Artificial Intelligence in the Life Sciences · June 1, 2024 Active machine learning is an established and increasingly popular experimental design technique where the machine learning model can request additional data to improve the model's predictive performance. It is generally assumed that this data is optimal f ... Full text CiteRecent Grants
Designing Personalized Formulations with Machine Learning
ResearchPrincipal Investigator · Awarded by National Institutes of Health · 2023 - 2028NSF Engineering Research Center for Precision Microbiome Engineering (PreMiEr)
ResearchInvestigator · Awarded by National Science Foundation · 2022 - 2027University Training Program in Biomolecular and Tissue Engineering
Inst. Training Prgm or CMEMentor · Awarded by National Institutes of Health · 1994 - 2027View All Grants