Alexander Tropsha, Ph.D., is using machine learning and artificial intelligence to help his collaborators at Harvard build a portable chemical gas sensing device called iNOSES that will help identify volatiles in the air. Tropsha, K.H. Lee Distinguished Professor in the … Read more
Alexander Tropsha, Ph.D., is exploring unchartered territory through research into ways artificial intelligence and machine learning can help advance the drug discovery process. Tropsha, a professor in the Division of Chemical Biology and Medicinal Chemistry at the UNC Eshelman School … Read more
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 … Read more
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 … Read more
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 … Read more
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 … Read more
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 … Read more
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 … Read more
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 … Read more
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. … Read more
