Community Structure Activity Resource

Homepage Link: http://www.csardock.org/

Description: The University of Michigan was honored to host the Community Structure-Activity Resource (CSAR)! This effort aimed to improve docking and scoring through participation of the entire scientific community. CSAR disseminated experimental datasets of crystal structures and binding affinities for diverse protein-ligand complexes. Some datasets were generated in house at the University of Michigan while others were collected from the literature or deposited by academic labs, national centers, and the pharmaceutical industry.

Computational drug design techniques are very successful at enriching hit rates when identifying sets of compounds for experimental testing. However, it is not possible to reliably rank nanomolar-level compounds over those with micromolar affinities. To improve our approaches, we need better datasets to train scoring functions and develop new docking algorithms.

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