A quality alert and call for improved curation of public chemistry databases.

Abstract:

:In the last ten years, public online databases have rapidly become trusted valuable resources upon which researchers rely for their chemical structures and data for use in cheminformatics, bioinformatics, systems biology, translational medicine and now drug repositioning or repurposing efforts. Their utility depends on the quality of the underlying molecular structures used. Unfortunately, the quality of much of the chemical structure-based data introduced to the public domain is poor. As an example we describe some of the errors found in the recently released NIH Chemical Genomics Center 'NPC browser' database as an example. There is an urgent need for government funded data curation to improve the quality of internet chemistry and to limit the proliferation of errors and wasted efforts.

journal_name

Drug Discov Today

journal_title

Drug discovery today

authors

Williams AJ,Ekins S

doi

10.1016/j.drudis.2011.07.007

subject

Has Abstract

pub_date

2011-09-01 00:00:00

pages

747-50

issue

17-18

eissn

1359-6446

issn

1878-5832

pii

S1359-6446(11)00240-6

journal_volume

16

pub_type

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