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 …

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 …

Target, chemical and bioactivity databases–integration is key

TI Oprea, A Tropsha - Drug Discovery Today: Technologies, 2006 - Elsevier
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 …

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 …

[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 …

PubChem: A Large‐Scale Public Chemical Database for Drug Discovery

S Kim, EE Bolton - Open Access Databases and Datasets for …, 2024 - Wiley Online Library
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 …

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 …

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 …

[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 …

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 …