Design of chemical libraries with potentially bioactive molecules applying a maximum common substructure concept

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 typi...

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Detalles Bibliográficos
Autores principales: Lisurek, Michael, Rupp, Bernd, Wichard, Jörg, Neuenschwander, Martin, von Kries, Jens Peter, Frank, Ronald, Rademann, Jörg, Kühne, Ronald
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Netherlands 2009
Materias:
Full-Length Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7089384/
https://www.ncbi.nlm.nih.gov/pubmed/19685275
http://dx.doi.org/10.1007/s11030-009-9187-z

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7089384/
https://www.ncbi.nlm.nih.gov/pubmed/19685275
http://dx.doi.org/10.1007/s11030-009-9187-z

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