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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Detaylı Bibliyografya
Yayımlandı:J Cheminform
Asıl Yazarlar: Harvey, Matthew J, Mason, Nicholas J, McLean, Andrew, Murray-Rust, Peter, Rzepa, Henry S, Stewart, James J P
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: Springer International Publishing 2015
Konular:
Research Article
Online Erişim: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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