Ontology highlight
ABSTRACT:
SUBMITTER: Lisurek M
PROVIDER: S-EPMC7089384 | biostudies-literature | 2010 May
REPOSITORIES: biostudies-literature
Lisurek Michael M Rupp Bernd B Wichard Jörg J Neuenschwander Martin M von Kries Jens Peter JP Frank Ronald R Rademann Jörg J Kühne Ronald R
Molecular diversity 20090815 2
Success in small molecule screening relies heavily on the preselection of compounds. Here, we present a strategy for the enrichment of chemical libraries with potentially bioactive compounds integrating the collected knowledge of medicinal chemistry. Employing a genetic algorithm, substructures typically occurring in bioactive compounds were identified using the World Drug Index. Availability of compounds containing the selected substructures was analysed in vendor libraries, and the substructur ...[more]