Author: Wendy Warr


Tautomerism in chemical information management systems

May 19, 2010 - Presentation
Tautomerism has an impact on many of the processes in chemical information management systems including novelty checking during registration into chemical structure databases; storage of …

RIP MDL information systems. Is this really the beginning of a new era?

Feb 7, 2008 - Publication
After the acquisition of MDL Information Systems by Symyx Technologies in October 2007, I interviewed some of the senior management of Symyx to get their views on the positioning of the n…

Herman Skolnik award symposium honoring Yvonne Martin

Dec 10, 2009 - Publication
Unfortunately this article cannot be reproduced here. (no paywall/login).

ChemAxon European User Group Meeting (UGM), Budapest, May 19-21, 2014

Jul 4, 2014 - Report
) János Papdeák of ChemAxon gave a case history. A customer wanted to use Marvin JS on a touch screen. The customer did not want the touch version to be different from the desktop vers…

ChemAxon European Annual Meeting (UGM), Budapest, May 24-26, 2016

May 24, 2016 - Report
and from command line. The vendor library was prepared as follows. MolConverter was used to generate SMILES from vendor SDfiles and the records from all vendors were merged into one datab…

ChemAxon US User Group Meeting (UGM), San Diego, September 24-25, 2013

Dec 2, 2013 - Report
Machine learning applications with JChem · () Markush technology · return to TOC At the Markush forum before the main user meeting, Árpád Figyelmesi of ChemAxon desc…

QSAR World, Feature: Dec. 2007

Dec 21, 2007 - In Press
Workflow and Pipelining in Cheminformatics by Wendy Warr.
Products: KNIME, InforSense

ChemAxon 2014 User Meeting Report – extracted: KNIME-based solutions

Jul 1, 2014 - Report
ChemAxon European User Group Meeting (UGM), Budapest, May 19-21, 2014 A series of extracts from Wendy Warr’s UGM meeting report focusing on specific issues of interest to the industr…

ChemAxon US User Group Meeting, San Diego, September 26-29, 2011

Nov 6, 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 …

Renaissance Meeting for ChemAxon

May 8, 2008 - 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…

Hot Tools at Hot Meeting

Jun 14, 2007 - 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…

“In Silico Veritas” ChemAxon European User Group Meeting (UGM), Budapest, May 21-24, 2012

Jul 4, 2012 - Report
Naming technologies and text mining · return to TOC Introduction · return to TOC ChemAxon’s naming technologies Structure to Name (S2N) and Name to Structure (N2S) are m…

Back to nature in the heart of the city

Jun 4, 2009 - Report
. Calculator Plugins were already in an earlier version of the component collection but it was not flexible enough so a new component, Chemical Terms Calculator, was added in July 2008.…

The ChemAxon Double Bond Show - ChemAxon User Group Meeting, Budapest May 19-20, 2010

May 20, 2010 - Report
Lead-in ELNs and ChemAxon Chemical catalogues More from Evotec GSK and SOA SkunkWerks and Web Services SharePoint Partners and…