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Scripting Dotmatics Vortex 3 In Press
ChemAxon’s Calculator (cxcalc) is a really useful command line program in Marvin Beans and JChem that performs chemical calculations using calculator plugins. There are a lot of cal…
November 2011
Product group:
Discovery toolkit
Generating a Rule of 7 Profile In Press
I regularly have to profile collections of compounds, these may be from commercial suppliers or could be a virtual library created for a MedChem project. Whilst many people have there own…
September 2010
Product group:
Desktop applications
Renaissance Meeting for ChemAxon Report
This year’s user meeting moved from its traditional Budapest location to Visegrád, in recognition of Hungary’s Year of Renaissance, commemorating the 550th anniversary of King Matthi…
May 2008
ChemSpider Blog: Feb. 2008 In Press
The Nice People at ChemAxon by Antony Williams.
February 2008
Product group:
IT platform toolkit
Macs in Chemistry: 2009 In Press
Role of ChemAxon LibraryMCS by Chris Swain.
February 2009
Product group:
Discovery toolkit
Macs in Chemistry: 2010 In Press
Chemicalize Extension
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August 2010
Product group:
Desktop applications
Lead-on PB Report
. Future versions will feature a common GUI based on LibMCS that incorporates all methods. Future developments will include disconnected maximum common substructures, k-means clustering, …
September 2009
Netbeans.org In Press
Instant JChem – An Integrated Environment for Scientists Built on NetBeans.
August 2007
Product group:
Desktop applications
Evaluation of pKa Estimation Methods on 211 Druglike Compounds In Press
The pKa values of 211 discovery (druglike) compounds were determined experimentally using capillary electrophoresis coupled with ultraviolet spectroscopy and a novel fitting algorithm. Th…
February 2010
Product group:
Discovery toolkit
GSK’s Helium Rises to the Top In Press
Familiarity breeds contempt, it’s said, but not in the case of GlaxoSmithKline’s most recent tool for SAR analysis: Helium, which has the ubiquitous Microsoft Excel at its core, and r…
August 2011
The Utility of Cloud Computing In Press
ChemAxon’s David Deng presented a collaboration with GlaxoSmithKline (GSK) on cloud computing, in which 13,500 potential anti-malarial drugs have been made free available, hosted on EC2.
November 2011
Product group:
Desktop applications
ChemAxon US User Group Meeting, San Diego, September 26-29, 2011 Report
; Keiser, M. J.; Roth, B. L.; Armbruster, B. N.; Ernsberger, P.; Irwin, J. J.; Shoichet, B. K. Relating protein pharmacology by ligand chemistry. Nat. Biotech.2007, 25 (2), 197-206). SEA …
November 2011
QSAR World, Feature: Dec. 2007 In Press
Workflow and Pipelining in Cheminformatics by Wendy Warr.
December 2007
Chemicalize for WordPress In Press
“Having recently bigged up the Chemicalize system that lets you view any web page or chunk of text containing chemical names with inline structures and links to property information…
August 2010
Product group:
Desktop applications
ChemAxon: Revolutionizing Generic Chemical Structure Searches In Press
Searching for Markush structures is a difficult task, and professional searchers need training and experience to search competently for Markush structures in the MMS database. Markush st…
July 2011
Product group:
Markush IP
ChemAxon extends chemicalize.org alpha with predicted data and user customization In Press
ChemAxon announces the addition of major new functionality in its chemicalize.org web based service. The new features help users understand better the chemical structure with more predict…
August 2010
Product group:
Desktop applications
Macs in Chemistry also mirrored at MacResearch: Jan. 2008 In Press
A Review of Marvin by Chris Swain.
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January 2008
Meeting Report - ChemAxon User Group Meeting, Boston September 14-15, 2010 Report
. Following the formal UGM and preceding the Markush Forum the group gathered at the Bell in Hand tavern, close to the hotel.
A total of 80 non-ChemAxon participants registered for the me…
September 2010
ChemSpider integrates Chemicalize In Press
The Chemicalize website from ChemAxon is gaining interest and, likely, LOTS of users! Chemicalize is both a website for recognizing chemical names and converting to chemical structures as…
August 2010
Product group:
Desktop applications
The ChemAxon Double Bond Show - ChemAxon User Group Meeting, Budapest May 19-20, 2010 Report
Lead-in
ELNs and ChemAxon
Chemical catalogues
More from Evotec
GSK and SOA
SkunkWerks and Web Services
SharePoint
Partners and Posters
Markush
MedChem and more
Enhancements to C…
May 2010
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