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Standards-based curation of a decade-old digital repository dataset of molecular information
BACKGROUND: The desirable curation of 158,122 molecular geometries derived from the NCI set of reference molecules together with associated properties computed using the MOPAC semi-empirical quantum mechanical method and originally deposited in 2005 into the Cambridge DSpace repository as a data col...
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| Publicado no: | J Cheminform |
|---|---|
| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer International Publishing
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4550659/ https://ncbi.nlm.nih.gov/pubmed/26322133 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-015-0093-3 |
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