News

Zach presented at BME Impact Talks

Zach gave a chalk talk titled "Prodrug Design Powered by Machine Learning" for the BME Impact Talks series.

New Preprint on Prodrug Activation Prediction

We are excited to announce a new preprint on our work "Ensemble Siamese Neural Networks for Prodrug Activation Prediction" that develops and validates a tool to accurately anticipate if prodrugs will be activated within the body. It is now available on ChemRxiv: https://chemrxiv.org/engage/…

Sophia presented at Duke Research Cafe

Sophia gave a 3-minute lightning talk about her research for the Duke Research Cafe - why grapefruit juice and medicine don't mix.

Presenting at AAPS

Daniel gave a keynote presentation at American Association of Pharmaceutical Scientists (AAPS) PharmSci360 2025 about machine learning to accelerate, de-risk, and optimize drug development and drug delivery.

Work on Tunable Nanoparticle Design with AI Published in ACS Nano

We are excited to share that our tunable nanoparticle design work has been published in ACS nano: https://pubs.acs.org/doi/10.1021/acsnano.5c09066. Congrats to Zilu and all his co-authors on this work!

Presenting at Fall ACS 2025

We are excited to share that two of our graduate students, Zachary Fralish and Hong (Amy) Chung will be presenting their latest research at the American Chemical Society (ACS) Fall 2025 Meeting in Washington DC! Zach will highlight our recent work on pairwise molecular learning, and Amy will…

New Preprint on Using Machine Learning to Study Biological Effects of Microbiome Metabolites

We are happy to share that our new preprint is ready to be viewed online: Profiling Biological Effects of Microbiome Metabolites via Machine Learning: https://chemrxiv.org/engage/chemrxiv/article-details/68893501fc5f0acb52…

Presenting at Computer Aided Drug Design GRS

Zach presented his research on machine learning for prodrug design at the 2025 Computer Aided Drug Design GRS.

Presenting at Preclinical Form and Formulation for Drug Discovery GRC

Daniel gave a talk entitled "Machine Learning for Drug Development and Delivery" at the 2025 Preclinical Form and Formulation for Drug Discovery GRC

Congrats to Sophia on CBTE Fellowship

Sophia was awarded the NIH T32 Ruth L. Kirschstein Training Grant Fellowship for the Duke Center for Biomolecular and Tissue Engineering (CBTE), congrats on this well deserved award!

Presenting at Cancer Nanotechnology GRC

Daniel gave a talk entitled "Machine Learning for Nanoparticle Design" at the 2025 Cancer Nanotechnology GRC.

New preprint on studying antibiotic effects of drugs on commensal bacteria with machine learning

We are happy to share that our new preprint is ready to be viewed online: Identifying Antibiotic Effects of Investigational Drugs on Commensal Bacteria with Machine Learning: https://chemrxiv.org/engage/chemrxiv/article-details/68432f2ec1cb1ecda0…

New preprint from our lab on computationally-designed nanoparticles

We are thrilled to announce the release of our latest research on ChemRxiv: TuNa-AI: A Hybrid Kernel Machine to Design Tunable Nanoparticles for Drug Delivery.

Daniel Presenting at Spring ACS

Daniel shared our latest work on pairwise molecular machine learning and machine learning for nanoparticle design at the spring 2025 ACS meeting in San Diego.

Congrats to Zilu on Paul and Lauren Ghaffari Graduate Fellowship

Congratulations to Zilu on receiving a Paul and Lauren Ghaffari Graduate Fellowship. This prestigious fellowship is for graduate students pursuing studies related to oncology and eligible departments are limited to 2 nominees.