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Trust, but verify: On the importance of chemical structure curation in cheminformatics and QSAR modeling research

Molecular modelers and cheminformaticians typically analyze experimental data generated by other scientists. Consequently, when it comes to data accuracy, cheminformaticians are always at the mercy of data providers who may inadvertently publish (partially) erroneous data. Thus, dataset curation is...

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Detalhes bibliográficos
Main Authors: Fourches, Denis, Muratov, Eugene, Tropsha, Alexander
Formato: Artigo
Idioma:Inglês
Publicado em: 2010
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2989419/
https://ncbi.nlm.nih.gov/pubmed/20572635
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci100176x
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