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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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Hlavní autoři: Fourches, Denis, Muratov, Eugene, Tropsha, Alexander
Médium: Artigo
Jazyk:Inglês
Vydáno: 2010
Témata:
On-line přístup: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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