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Fast 3D shape screening of large chemical databases through alignment-recycling
BACKGROUND: Large chemical databases require fast, efficient, and simple ways of looking for similar structures. Although such tasks are now fairly well resolved for graph-based similarity queries, they remain an issue for 3D approaches, particularly for those based on 3D shape overlays. Inspired by...
| Autores principales: | , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2007
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1994057/ https://www.ncbi.nlm.nih.gov/pubmed/17880744 http://dx.doi.org/10.1186/1752-153X-1-12 |