Library

Scripting Dotmatics Vortex 3 In Press

macsinchem
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 Author: ()
Product group: Discovery toolkit

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 Author:

Generating a Rule of 7 Profile In Press

macs
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 Author: ()
Product group: Desktop applications

Finnish IT center for science: March 6, 2007 In Press

csc
CSC releases SOMA2 – Drug Design Environment.

Hot Tools at Hot Meeting Report

This was, in more than one respect, the hottest meeting I have attended in many a year. Unfortunately, the Hotel Gellért does not have air conditioning. When I heard that Patcore Inc., C…
June 2007 Author:

Pfizer Selects ChemAxon's Markush Platform In Press

piug
Pfizer Globally Licenses ChemAxon’s Platform For Markush Structure Searching And Enumeration ChemAxon – a leading provider of cheminformatics software for the life sciences in…
August 2010 Author: ()
Product group: Markush IP

Evaluation of pKa Estimation Methods on 211 Druglike Compounds In Press

pka
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

Robots, fish and integration at first US UGM Report

To acknowledge its expanding world-wide user base and in recognition of the fact that 41% of its business is in the US, ChemAxon held its first North American User Group Meeting to comple…
September 2008 Author:

Scientific Computing World: February/March 2007 In Press

If a picture paints a thousand words.
Product group: Discovery toolkit

Scientific Computing World: June/July 2007 In Press

The cheminformatics challenge.
Product group: Desktop applications

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 Author: ()
Product group: Desktop applications

GSK’s Helium Rises to the Top In Press

bioit
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 Author: ()

ChemAxon: Revolutionizing Generic Chemical Structure Searches In Press

intellogist
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 Author: ()
Product group: Markush IP

Scientific Computing World; Laboratory Informatics Guide: Jan. 2008 In Press

lig
Protecting for the future: Creating and archiving electronic records is riddled with difficulties. By Clare Sansom.
January 2008 Author: ()
Product group: IT platform toolkit

Javalobby: Jan. 2008 In Press

ijc22
Brief review of Instant JChem by Geertjan.
January 2008 Author: ()
Product group: Desktop applications

QSAR World, Feature: Dec. 2007 In Press

qsar
Workflow and Pipelining in Cheminformatics by Wendy Warr.
December 2007 Author: ()

Macs in Chemistry: 2009 In Press

klustor
Role of ChemAxon  LibraryMCS by Chris Swain.
February 2009 Author: ()
Product group: Discovery toolkit

Macs in Chemistry: 2010 In Press

Chemicalize Extension .
August 2010 Author: ()
Product group: Desktop applications

Meeting Report from Yvonne Martin - ChemAxon User Group Meeting, Budapest, May 17-18, 2011 Report

will remain free. ChemAxon is working on sorting and ordering results and improving text search. They intend to provide personalization and login to include personal search history, profi…
May 2011 Author:

ChemAxon extends chemicalize.org alpha with predicted data and user customization In Press

lipitor
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
12