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

Fourches, Denis; Muratov, Eugene; Tropsha, Alexander

doi:10.1021/ci100176x

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

Author(s): Denis Fourches ¹ , Eugene Muratov , Alexander Tropsha

Publication date (Electronic): Jul 26 2010

Journal: Journal of chemical information and modeling

Publisher: American Chemical Society (ACS)

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Journal ID (iso-abbrev): J Chem Inf Model

Title: Journal of chemical information and modeling

Publisher: American Chemical Society (ACS)

ISSN (Electronic): 1549-960X

ISSN (Print): 1549-9596

Publication date (Electronic): Jul 26 2010

Volume: 50

Issue: 7

Affiliations

[1 ] Laboratory for Molecular Modeling, Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina 27599, USA.

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Mid ID: NIHMS216709

DOI: 10.1021/ci100176x

PMC ID: 2989419

PubMed ID: 20572635

SO-VID: 664f7e6c-916e-41a7-b6e8-0f1d91d32196

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

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