The ATOM Molecular Design Approach for Accelerated Drug Discovery

About this Class

During the May Accelerating Therapeutics for Opportunities in Medicine (ATOM) Webinar Series, discover how computing and machine learning can accelerate molecular optimization for cancer and infectious disease therapeutics. The ATOM Consortium is a public-private partnership whose mission is to transform drug discovery by accelerating the development of more effective therapies for patients. This webinar will demonstrate how ATOM strives to:

• speed up molecular optimization for applications ranging from cancer to infectious disease therapeutics with the help of computing and machine learning,
• establish multiparameter property optimization across efficacy, safety, pharmacokinetics, and developability, and,
• develop systems with the potential to guide and optimize experimental data collection and design validation.

Presenter: Mr. Jim Brase is the deputy associate director for computing at Lawrence Livermore National Laboratory (LLNL). He leads LLNL research in the application of high-performance computing, large-scale data science, and simulation to a broad range of national security and science missions. Mr. Brase is also co-lead of the ATOM Consortium for computational acceleration of drug discovery and on the leadership team of the COVID-19 HPC Consortium. His research interests focus on the intersection of machine learning, simulation, and high-performance computing. He is currently leading efforts on large-scale computing for life science, biosecurity, and nuclear security applications.