Public domain databases for medicinal chemistry
A. INTRODUCTION Medicinal chemists today find themselves in an increasingly information-
rich environment. An abundance of compound activity and affinity data is being published …
rich environment. An abundance of compound activity and affinity data is being published …
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 …
exemplified by the approximate five-fold growth of PubChem from over 50 contributing data …
Target, chemical and bioactivity databases–integration is key
Various biological, chemical and bibliographic databases have grown tremendously in
recent years with respect to both their diversity and size. In many cases, these databases …
recent years with respect to both their diversity and size. In many cases, these databases …
BindingDB and ChEMBL: online compound databases for drug discovery
AM Wassermann, J Bajorath - Expert opinion on drug discovery, 2011 - Taylor & Francis
Public domain repositories of compound structures and activity data are indispensable tools
for many aspects of pharmaceutical research, especially in academic environments. Such …
for many aspects of pharmaceutical research, especially in academic environments. Such …
[HTML][HTML] Compound bioactivities go public
A Bender - 2010 - nature.com
There was a time, in the not-too-distant past, where pharmaceutical companies often had the
edge over academic research in the drug discovery field, in part for a simple but powerful …
edge over academic research in the drug discovery field, in part for a simple but powerful …
PubChem: A Large‐Scale Public Chemical Database for Drug Discovery
PubChem is a public chemical database that provides information for more than 110 million
compounds, collected from hundreds of data sources. A wide variety of chemical information …
compounds, collected from hundreds of data sources. A wide variety of chemical information …
Exploiting open data: a new era in pharmacoinformatics
D Goldmann, F Montanari, L Richter… - Future medicinal …, 2014 - Taylor & Francis
Within the last decade open data concepts has been gaining increasing interest in the area
of drug discovery. With the launch of ChEMBL and PubChem, an enormous amount of …
of drug discovery. With the launch of ChEMBL and PubChem, an enormous amount of …
Large compound databases for structure-activity relationships studies in drug discovery.
T Scior, P Bernard, JL Medina-Franco… - Mini Reviews in …, 2007 - europepmc.org
Large libraries of chemical compounds reflect the exponentially growing data-enrichment in
drug discovery that trends towards fully automated informatics solutions to study structure …
drug discovery that trends towards fully automated informatics solutions to study structure …
[HTML][HTML] Quantitative assessment of the expanding complementarity between public and commercial databases of bioactive compounds
Background Since 2004 public cheminformatic databases and their collective functionality
for exploring relationships between compounds, protein sequences, literature and assay …
for exploring relationships between compounds, protein sequences, literature and assay …
Open-access chemistry databases evolving slowly but not surely.
M Baker - Nature Reviews Drug Discovery, 2006 - nature.com
NEWS & ANALYSIS Page 1 © 2006 Nature Publishing Group Monya Baker In terms of freely
available resources chemists have long been green with envy with what is available to …
available resources chemists have long been green with envy with what is available to …