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Effects of multiple conformers per compound upon 3-D similarity search and bioassay data analysis
BACKGROUND: To improve the utility of PubChem, a public repository containing biological activities of small molecules, the PubChem3D project adds computationally-derived three-dimensional (3-D) descriptions to the small-molecule records contained in the PubChem Compound database and provides variou...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
BioMed Central
2012
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3537644/ https://ncbi.nlm.nih.gov/pubmed/23134593 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1758-2946-4-28 |
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