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Efficient simultaneous matching of multiple SMARTS using the ChemAxon toolkits Presentation
The use of SMARTS patterns for pattern matching has become ubiquitous in cheminformatics, and efficient implementations exist for identifying one or more instances of a user-defined subst…
September 2011
Naming Technology, Document Extractor, Structure Checker, KNIME, chemicalize.org Webinar
In this session, we would like to briefly show how ChemAxon products can help analyze structures from documents to expedite the drug discovery process. We are going to demonstrate
How to…
March 2012
Product:
Naming
Reliably converting names to structures with ChemAxon tools Presentation
IUPAC, CAS, common, drug names form an important part of the chemical data generally available. We present the major upgrades to our name to structure which have been released in the last…
September 2011
Product:
Naming
Using ChemAxon Technology for Computer Curation of patents & scientific literature Presentation
As a part of our long term project on computer curation of patents and the scientific literature, we have aggregated a substantial repository of millions of chemical compounds. We succes…
September 2010
Naming and chemicalize.org Presentation
We will present improvements in our name to structure and structure to name tools. We also demonstrate the extraction of chemical structure from their names occurring in text documents, w…
September 2010
Working with IUPAC names using ChemAxon tools Poster
Chemical names constitute a widely used and convenient way to characterize compounds. Historically, useful compounds have been assigned common names, like toluene. Systematic ways to assi…
August 2008
Product:
Naming
Drug- and Lead-likeness, Target Class, and Molecular Diversity Analysis of 7.9 Million Commercially Available Organic Compounds Provided by 29 Suppliers Publication
A database of 7.9 million compounds commercially available from 29 suppliers in 2008−2009 was assembled and analyzed. 5.2 million structures of this database were identified to be uniqu…
March 2010
IUPAC Naming Presentation
IUPAC Naming is available in ChemAxon tools since April 2007. I will present the different ways to use it and evaluate the performance of the implementation.
June 2007
Product:
Naming
Chemical Naming Presentation
October 2008
Product:
Naming
IUPAC name Tutorial
April 2008
Product:
Naming
Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research Publication
With the recent advent of high-throughput technologies for both compound synthesis and biological screening, there
is no shortage of publicly or commercially available data
sets and datab…
June 2010
Chemical-Text Hybrid Search Engines Publication
As the amount of chemical literature increases, it is critical that researchers be enabled to accurately locate documents related to a particular aspect of a given compound. Existing solu…
January 2010
Extract chemical information from unsearchable PDF documents - New and future features of Chemicalize.org and Document to Structure Presentation
March 2012
Text mining for chemical information: the ChiKEL project Presentation
As scientific and patent literature expands, we need more efficient ways to find and extract information. Text mining is already being used successfully to analyse sets of documents after…
September 2011
Product:
Naming
Working with IUPAC names using ChemAxon tools Poster
Chemical names constitute a widely used and convenient way to characterize compounds. Historically, useful compounds have been assigned common names, like toluene. Systematic ways to assi…
August 2008
Product:
Naming
IUPAC Naming and chemicalize.org Presentation
A very large number of webpages, patents, text, office and PDF documents contain chemical names, which constitute valuable information. However, since the names are mixed in the text, wit…
September 2009
IUPAC name generation; challenges and evaluation Presentation
The standardization of the chemical nomenclature is an old-established issue within the chemists’ community. The IUPAC standardization was created first in 1921. This presentation g…
March 2007
Product:
Naming
Product Overview Presentation
Overview the current ChemAxon product lineup, both platform IT and discovery tools and highlight new and interesting functionalities introduced in the last year.
June 2009
IUPAC Naming, there and back again Presentation
May 2008
Product:
Naming
Import IUPAC names and convert to structure (v5.1) Tutorial
August 2008
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