Two-Parameter Persistence for Virtual Ligand Screening

Wednesday, August 15, 2018 - 1:30pm - 2:00pm
Lind 305
Bryn Keller (Intel Corporation)
Discovering a new drug costs more than a billion dollars and takes ten years or
more. So researchers are always looking for new ways to use computers to find
more promising candidate drugs. We present a promising new system that applies
the two-parameter persistent homology to the
complex task of finding good drug candidates, by finding similarities in the 3D
shapes of the molecules.