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PubChem3D: conformer ensemble accuracy

BACKGROUND: PubChem is a free and publicly available resource containing substance descriptions and their associated biological activity information. PubChem3D is an extension to PubChem containing computationally-derived three-dimensional (3-D) structures of small molecules. All the tools and servi...

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Autori principali: Kim, Sunghwan, Bolton, Evan E, Bryant, Stephen H
Natura: Artigo
Lingua:Inglês
Pubblicazione: BioMed Central 2013
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC3547714/
https://ncbi.nlm.nih.gov/pubmed/23289532
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1758-2946-5-1
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