Very large databases and 2D- and 3D-Similarity Searching

presentation · 11 years ago
by Lutz Weber (OntoChem)

Using different hardware platforms / operating systems we have explored different possibilities to build and implement JChem based chemical-biological databases with more than 100 million chemical compounds. These datasets are then subject to various 2D and 3D similarity searching methods to provide ideas for novel molecules of biological interest. We will show examples for using these integrated technologies for lead finding.