Institution: AstraZeneca


Automated spelling correction to improve recall rates of name-to-structure tools for chemical text mining

May 17, 2011 - Presentation
A major usage of name-to-structure software, such as Lexichem (OpenEye), n2s (ChemAxon), OPSIN (Unilever Centre for Molecular Science Informatics) is in text mining and chemical named ent…

Increase compound collection value and diversity through collaborations, partnerships, and open-innovation

May 20, 2015 - Presentation
Pharmaceutical R&D is facing increasing pressure such as rising operational costs, depleted pipelines and patent expiries. In this environment, it is crucial to improve R&D pro…
Product group: IT platform toolkit

A System for Encoding and Searching Markush Structures

Jul 17, 2012 - Publication
The encoding and searching of generic chemical structures, so-called Markush structures, have received little attention in the literature of late. The ability to encode and search these c…

IBEX - access and exploit SAR data from patents and journals

May 7, 2008 - Presentation
IBEX is a global AstraZeneca application to access GVKBio’s Medicinal Chemistry and Target Databases containing SAR data extracted from medicinal chemistry journals and patents. At …

Chemical text mining for current awareness of pharmaceutical patents

Aug 19, 2012 - Presentation
The increasing rate of pharmaceutical patent publication makes keeping current in medicinal chemistry ever more difficult for the practising research chemist. The USPTO alone publishes ov…

The Pistoia Alliance: An Emerging Cross-pharma Collaboration

Aug 7, 2008 - Presentation
An Open Source initiative known as the Pistoia Partnership has been established to streamline non-competitive elements of the pharmaceutical drug discovery workflow by the specification o…

Complementarity between Public and Commercial Databases of Bioactive Compounds

Jun 3, 2009 - Presentation
Since 2004 public cheminformatic databases and their collective functionality for exploring relationships between compounds, protein sequences, literature and assay data have advanced dra…
Product group: IT platform toolkit

Evaluation of pKa Estimation Methods on 211 Druglike Compounds

Mar 12, 2010 - Publication
The pKa values of 211 discovery (druglike) compounds were determined experimentally using capillary electrophoresis coupled with ultraviolet spectroscopy and a novel fitting algorithm. Th…

Periscope system for encoding and searching chemical Markush structures

Aug 19, 2012 - Presentation
The encoding and searching of Chemical Markush Structure searches has received little attention in the literature of late. We have recently developed a language and associated software fo…

Web Interface to Dictionary of Natural Products© at Astra Zeneca

Jun 8, 2006 - Poster
Dictionary of Natural Products (The Chapman & Hall) is a collection of chemical substances of natural sources updated twice a year. The data are catalogized, and this is the only way…

Name-to-Structure Converters One Is Not Enough!

May 28, 2013 - Poster
Name-to-Structure (N2S) converters are commonly used for automatic extraction of chemical structures from text like patents, journal articles, documents in corporate repositories. While i…
Product group: Naming