Recent News
Welcome Chinmay
September 28, 2023
We are thrilled to welcome another post-doctorial associate Chinmay Potnis! He recently recieved his PhD in Chemistry from the University of Louisville and we are excited to see what exciting discoveries here will make here.
New Paper on Design of Coatings for Enzymatically-Controlled Drug Release
September 25, 2023
Thrilled to see this work in print! Huge kudos to Natsuda Navamajiti for inventing bioinformatics-driven design of coatings for pancreatin-dependent drug release.
Check Out Our Review on Artificial Intelligence for Natural Product Drug Discovery
September 12, 2023
We happy to share a new review in Nature Reviews Drug Discovery: [
New Preprint on Yoked Learning
August 16, 2023
We are happy to share a new preprint on Yoked learning for molecular data science: https://chemrxiv.org/engage/api-gateway/chemrxiv/a
Presenting at ACS 2023
August 15, 2023
Daniel gave 2 contributed talks and 1 invited talk at the Fall 2023 ACS National Meeting. Details shown below:
Study Identifying Protein Predictive of Cardiac Complications Following Surgery
August 8, 2023
We are happy to share a new paper that identified Angiopoietin-2 levels are predictive of capillary leak and subsequent edema formation following cardiac surgery. This was a great collaboration with Harvard Medical School and the University of Freiburg.
Paper Published in JCIM
July 28, 2023
This Interpretable Molecular Property Predictions Using Marginalized Graph Kernels work is now published in JCIM, thank you to the excellent peer reviewers and everybody that has helped to make this manuscript better.
NIH MIRA R35 Grant 2023
July 26, 2023
Thank you for the support NIH's National Institute of General Medical Sciences (NIGMS)! We are excited for this major grant to help us develop innovative machine learning learning approaches to create novel drug delivery solutions.
Presenting at CADD GRC
July 21, 2023
Daniel presented "Novel Active Learning Strategies for Preclinical Research" at the Computer Aided Drug Design (CADD) Gordon Research Conference (GRC). A great opportunity to connect with others researching machine learning for drug design.
Paper Published in Digital Discovery
July 6, 2023
Our paper "Improving molecular machine learning through adaptive subsampling with active learning" has been published and is open access in Digital Discovery. Congrats to Holly Wen and the whole team on this work!
Welcome Lauren
July 3, 2023
We are very excited to welcome our sixth PhD student Lauren! We are looking forward to all of your future exciting discoveries.
Congrats Chloe on T32 Pharmacological Sciences Training Program Fellowship
June 16, 2023
Congratulations to Chloe on becoming a T32 Pharmacological Sciences Training Program Fellow. This program provides two years of funding and valuable tranining and connections for students in the pharmacological sciences field.
Presenting at the Computational & Systems Biology Annual Symposium
June 13, 2023
Daniel presented "Molecular Machine Learning for Drug Discovery, Delivery, and the Microbiome" at the Computational & Systems Biology Annual Symposium at Colorado State University.
Second Place Group Presentation for BME Retreat
May 18, 2023
We had a great time making a fun video to explain our group's research for the biomedical engineering departmental retreat and recieved second place based on popular vote. Looking forward to enjoying our lunch party reward and doing it again next year!
Congrats to Graduate Ashley
May 14, 2023
Congrats to Ashley for graduating with her B.S. in Computer Science! We are looking forward to hearing about all your future successes.
Congrats Brian on College Acceptances and Attending Princeton
May 1, 2023
Out of many college acceptances, Brian has decided to attend Princeton for his undergrad. We wish you the best of luck and know you will do great things!
New Preprint on Predicting Changes of Molecular Derivatives
April 11, 2023
New preprint from the lab: “DeepDelta: Predicting Pharmacokinetic Improvements of Molecular Derivatives with Deep Learning”
NIH NIBIB Trailblazer Grant 2023
March 31, 2023
First NIH NOA for our lab, thank you for the support NIH's National Institute of Biomedical Imaging and Bioengineering! .
Welcome Jung!
March 22, 2023
We are happy to welcome Jung, a new research resident, to the lab. Looking forward to the exciting research you will do!
Presenting at the Molecular Engineering & Sciences Institute
March 7, 2023
Daniel presented "Predicting and Improving ADMET Properties of Medications with Machine Learning" at the Molecular Engineering & Sciences Institute at the University of Washington.
New Preprint on Marginalized Graph Kernels
February 20, 2023
New preprint alert from our lab! “Interpretable Molecular Property Predictions Using Marginalized Graph Kernels” https://chemrxiv.org/engage/chemrxiv/article-details/63ef9e761d2d184063a...
New Preprint on Active Learning Subsampling
February 15, 2023
New preprint alert from our lab! “Improving Molecular Machine Learning Through Adaptive Subsampling with Active Learning” https://doi.org/10.26434/chemrxiv-2023-h8905
Presentations at the Duke Center for Quantitative Biodesign Symposium
November 15, 2022
The lab had a great time discussing quantitative biology of the microbiome at the Duke Center for Quantitative Biodesign Symposium today. We had two poster presentations from Amy and Hrshita and a talk from Daniel.
Presenting at BMES 2022
October 15, 2022
Daniel presented "Characterizing the Drug Transportome with Machine Learning and Tissue Engineering" at the 2022 Biomedical Engineering Scoiety (BMES) during the Machine Learning and Molecular Optics session.
Welcome Bert
October 7, 2022
We are happy to welcome Bert Cortina to the lab! He is a ACES Anesthesia Research Resident and we are very excited to see the exciting discoveries he will make during his time here.