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A tree-based method for the rapid screening of chemical fingerprints
BACKGROUND: The fingerprint of a molecule is a bitstring based on its structure, constructed such that structurally similar molecules will have similar fingerprints. Molecular fingerprints can be used in an initial phase of drug development for identifying novel drug candidates by screening large da...
| Autores principales: | , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2010
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2830925/ https://www.ncbi.nlm.nih.gov/pubmed/20047665 http://dx.doi.org/10.1186/1748-7188-5-9 |