Invited Speaker 11th Annual Conference of the International Chemical Biology Society 2022

CACHE: setting the stage for a breakthrough in computational hit finding (#29)

Matthieu Schapira 1
  1. University of Toronto, Toronto, ON, Canada

Modeled after CASP, the Critical Assessment of Computational Hit Finding Experiments (CACHE) invites every four months computational chemistry and AI experts around the world to predict 100 compounds for a predefined protein target. Compounds are then procured, experimentally tested and all data and computational methods publicly released. CACHE sets the stage for future breakthroughs in virtual screening and de-novo design, a necessity to achieve the goal of Target 2035. Trends emerging from the first CACHE competition will be presented.