The National Institute of Environmental Health Sciences (NIEHS) recently announced UNC Eshelman School of Pharmacy faculty paper “Computational modeling identifies drug candidates for SARS-CoV-2” as one of the organization’s 2020 Papers of the Year. The publication, with Alex Tropsha, Ph.D. and Eugene … Continued

Mariya Popova, a second-year Ph.D. student in the Laboratory for Molecular Modeling, is the recipient of the 2019-20 NVIDIA Graduate Fellowship. Popova is supervised by Alexander Tropsha, Ph.D., and Olexandr Isayev, Ph.D. Her research focuses on applications and development of … Continued

Vinicius Alves, Ph.D., M.Sc., a postdoctoral research associate at the UNC Eshelman School of Pharmacy Catalyst for Rare Diseases, is a recipient of the 2018 Lush Prize Young Researcher award. The Lush Prize rewards initiatives across science and campaigning that … Continued

An artificial-intelligence approach created at the University of North Carolina at Chapel Hill can teach itself to design new drug molecules from scratch. ReLeaSE is an algorithm and computer program developed at the UNC Eshelman School of Pharmacy. It comprises … Continued

Nanomaterials researchers urgently need well-structured and publicly accessible databases to advance their field, according to scientists at the University of North Carolina at Chapel Hill and the Research Triangle Institute. RTI transferred the Nanomaterial Registry database to UNC-Chapel Hill, and … Continued

Scientists at the University of North Carolina at Chapel Hill and Duke University have created the first general-purpose method for using machine learning to predict the properties of new metals, ceramics and other crystalline materials and to find new uses … Continued

PAINS alerts, a widely used screening tool deployed in the early phases of drug discovery to weed out undesirable compounds, are wrong so often they can’t be trusted on its own, according to scientists at the University of North Carolina … Continued

Alex Tropsha, Ph.D., has been named to the editorial board of the Nature journal Scientific Data. Scientific Data is a peer-reviewed, open-access journal for descriptions of scientifically valuable datasets and research that advance the sharing and reuse of scientific data. … Continued

A new project led by researchers at RENCI and the UNC Eshelman School of Pharmacy aims to develop a biomedical data “translator” that will integrate, synthesize and interpret multiple sources of clinical and biomedical data to provide information to guide clinical … Continued

The approach used by regulators to initially screen new chemical products for toxic effects is wrong almost half the time, according to scientists at the University of North Carolina at Chapel Hill. They have proposed an improvement that could increase … Continued