Abstract
Every year, several million compounds for drug screening are released by numerous vendors around the world. The information provided on these compounds is in the form of their two-dimensional (2D) structures. We have developed a software system to generate a database of three-dimensional (3D) structures of these compounds and have distributed this database. We have also developed a database of protein-compound docking scores of 180 proteins with respect to these millions of compounds. These databases make it possible to identify new active compounds for many drug targets.
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