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Ligand scaffold hopping combining 3D maximal substructure search and molecular similarity
BACKGROUND: Virtual screening methods are now well established as effective to identify hit and lead candidates and are fully integrated in most drug discovery programs. Ligand-based approaches make use of physico-chemical, structural and energetics properties of known active compounds to search lar...
| Autores principales: | , , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2009
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2739202/ https://www.ncbi.nlm.nih.gov/pubmed/19671127 http://dx.doi.org/10.1186/1471-2105-10-245 |