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Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation.


ABSTRACT: There is a growing public concern about the lack of reproducibility of experimental data published in peer-reviewed scientific literature. Herein, we review the most recent alerts regarding experimental data quality and discuss initiatives taken thus far to address this problem, especially in the area of chemical genomics. Going beyond just acknowledging the issue, we propose a chemical and biological data curation workflow that relies on existing cheminformatics approaches to flag, and when appropriate, correct possibly erroneous entries in large chemogenomics data sets. We posit that the adherence to the best practices for data curation is important for both experimental scientists who generate primary data and deposit them in chemical genomics databases and computational researchers who rely on these data for model development.

SUBMITTER: Fourches D 

PROVIDER: S-EPMC5657146 | biostudies-literature | 2016 Jul

REPOSITORIES: biostudies-literature

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Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation.

Fourches Denis D   Muratov Eugene E   Tropsha Alexander A  

Journal of chemical information and modeling 20160622 7


There is a growing public concern about the lack of reproducibility of experimental data published in peer-reviewed scientific literature. Herein, we review the most recent alerts regarding experimental data quality and discuss initiatives taken thus far to address this problem, especially in the area of chemical genomics. Going beyond just acknowledging the issue, we propose a chemical and biological data curation workflow that relies on existing cheminformatics approaches to flag, and when app  ...[more]

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