Optimization and visualization of the edge weights in optimal assignment methods for virtual screening

BACKGROUND: Ligand‐based virtual screening plays a fundamental part in the early drug discovery stage. In a virtual screening, a chemical library is searched for molecules with similar properties to a query molecule by means of a similarity function. The optimal assignment of chemical graphs has pro...

Descripción completa

Detalles Bibliográficos
Autores principales: Rosenbaum, Lars, Jahn, Andreas, Dörr, Alexander, Zell, Andreas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2013
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3639874/
https://www.ncbi.nlm.nih.gov/pubmed/23531368
http://dx.doi.org/10.1186/1756-0381-6-7

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3639874/
https://www.ncbi.nlm.nih.gov/pubmed/23531368
http://dx.doi.org/10.1186/1756-0381-6-7

Ejemplares similares