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
Ensemble Siamese Neural Networks for Prodrug Activation Prediction
Preprint · November 27, 2025 Full text CiteGenetically encoded sterol-modification of a synthetic intrinsically disordered protein leads to diverse self-assembly behavior
Preprint · October 15, 2025 Full text CiteTuNa-AI: A Hybrid Kernel Machine To Design Tunable Nanoparticles for Drug Delivery.
Journal Article ACS Nano · September 23, 2025 Artificial intelligence (AI) has the potential to transform nanoparticle development for drug delivery; however, existing strategies typically optimize either material selection or component ratios in isolation. To enable simultaneous optimization of both, ... Full text Link to item CiteRecent Grants
Pharmacological Sciences Training Program
Inst. Training Prgm or CMEPreceptor · Awarded by National Institutes of Health · 2025 - 2030Designing Personalized Formulations with Machine Learning
ResearchPrincipal Investigator · Awarded by National Institute of General Medical Sciences · 2023 - 2028University Training Program in Biomolecular and Tissue Engineering
Inst. Training Prgm or CMEMentor · Awarded by National Institute of General Medical Sciences · 1994 - 2027View All Grants