Chemical Informatics or Cheminformatics applies and develops methods in computer science and artificial intelligence to solve problems in chemistry. Application of GPU accelerators enable computational researchers to push the boundaries of discovery with processing this "Big Chemical Data".

In this introductory talk, Dr. Olexandr Isayev presents an overview of these developments, platforms, and early successful applications in his lab as well as in the field. Dr. Isayev is a Research Scientist at UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill. In 2008, he received his Ph.D. in computational chemistry from Jackson State University. He was Postdoctoral Research Fellow at the Case Western Reserve University and a senior scientist at the US Army ERDC before joining UNC in 2013. Dr. Isayev received the “Emerging Technology Award” from the American Chemical Society (ACS) and the GPU Computing Award from NVIDIA in 2014. His research interests focus on making sense of chemical data with molecular modeling and machine learning.