Cargando…
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...
| Autores principales: | , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2013
|
| Materias: | |
| 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 |