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

AJ Williams, S Ekins - Drug Discovery Today, 2011 - Elsevier
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 …

Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situation

AJ Williams, S Ekins, V Tkachenko - Drug discovery today, 2012 - Elsevier
In recent years there has been a dramatic increase in the number of freely accessible online
databases serving the chemistry community. The internet provides chemistry data that can …

Complementarity between public and commercial databases: new opportunities in medicinal chemistry informatics

C Southan, P Várkonyi… - Current Topics in Medicinal …, 2007 - ingentaconnect.com
The last two years have seen a dramatic expansion in public cheminformatics, as
exemplified by the approximate five-fold growth of PubChem from over 50 contributing data …

A perspective of publicly accessible/open-access chemistry databases

AJ Williams - Drug discovery today, 2008 - Elsevier
The Internet has spawned access to unprecedented levels of information. For chemists the
increasing number of resources they can use to access chemistry-related information …

[HTML][HTML] Quantitative assessment of the expanding complementarity between public and commercial databases of bioactive compounds

C Southan, P Várkonyi, S Muresan - Journal of cheminformatics, 2009 - Springer
Background Since 2004 public cheminformatic databases and their collective functionality
for exploring relationships between compounds, protein sequences, literature and assay …

[HTML][HTML] Chemical databases: curation or integration by user-defined equivalence?

A Hersey, J Chambers, L Bellis, AP Bento… - Drug Discovery Today …, 2015 - Elsevier
Highlights•A rich variety of data on millions of diverse compounds are now available in
public databases that can be used in drug discovery.•Differences in database business rules …

Large-scale annotation of small-molecule libraries using public databases

Y Zhou, B Zhou, K Chen, SF Yan, FJ King… - Journal of chemical …, 2007 - ACS Publications
While many large publicly accessible databases provide excellent annotation for biological
macromolecules, the same is not true for small chemical compounds. Commercial data …

[PDF][PDF] Chemical structure indexing of toxicity data on the internet: moving toward a flat world

AM Richard, LS Gold… - Current Opinion in Drug …, 2006 - files.toxplanet.com
Standardized chemical structure annotation of public toxicity databases and information
resources is playing an increasingly important role in the'flattening'and integration of diverse …

Public domain databases for medicinal chemistry

G Nicola, T Liu, MK Gilson - Journal of medicinal chemistry, 2012 - ACS Publications
A. INTRODUCTION Medicinal chemists today find themselves in an increasingly information-
rich environment. An abundance of compound activity and affinity data is being published …

[引用][C] Chemspider: a platform for crowdsourced collaboration to curate data derived from public compound databases

AJ Williams - Collaborative computational technologies for …, 2011 - Wiley Online Library
Chemspider: A Platform for Crowdsourced Collaboration to Curate Data Derived From
Public Compound Databases Page 1 22 CHEMSPIDER: A PLATFORM FOR …