Axeleratio

Exploring libraries
Libraries are collections of items that have systematically been labeled, annotated and archived. In biochemistry and molecular genetics, for example, libraries consists of (micro)arrays of assay-characterized samples of biomolecules, cells, tissues, etc. Libraries also are virtually generated. Employing CurlySMILES, we randomly or exhaustively generate compact libraries representing chemical or material sets complying with a customer-defined nanostructural concept: combinatorial libraries. By designing and implementing problem-oriented screening algorithms for in-silico library inspection, we then rationally screen for promising candidates that apply to certain constraints, i.e. that best fit desired property windows.