Author: Yvonne Martin


Tautomers: A Rant

Sep 15, 2009 - Presentation
Approximately 25% of all drug-like molecules exist as more than one tautomeric form. This affects all aspects of computer-aided molecular design. One challenge is that frequently biomacro…

Evaluation of Software for Property Predictions

Sep 15, 2010 - Presentation
In 2009 I was involved in a project that used its proprietary data to evaluate the relative ability of software programs to predict the measured values. We discovered many pitfalls with s…

Perspiration, Inspiration, and Happenstance in Scientific Discoveries

May 18, 2011 - Presentation
This presentation will include the mostly unwritten stories of how and why QSAR, SMILES, CLOGP, DISCO pharmacophore detection, 3D searching, and CONCORD were discovered. Hint: these inve…

ChemAxon US User Group Meeting, September 25-26, Cambridge Massachusetts

Dec 18, 2014 - Report
Conclusion Attendees and Social Events Overview of ChemAxon by Alex Drijver The ChemAxon Product Profile Biomolecule Toolkit Plexus Suite Compliance Checker ChemCurator Ma…

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

May 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…

Meeting Report - ChemAxon User Group Meeting, Boston September 14-15, 2010

Sep 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…

2012 Boston UGM Meeting Report

Nov 12, 2012 - Report
Social Aspects and Demographics Keynote CEO Wrap-up Overview of Talks Compound Registration Compound Workflow Support Migration from ISIS/Daylight Solutions JChem ChemAxon…

Robots, fish and integration at first US UGM

Sep 15, 2008 - 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…

Lead-on PB

Sep 15, 2009 - 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, …

ChemAxon’s 2013 European User Group Meeting Report

Jul 3, 2013 - Report
Summary Social Aspects and Demographics Keynote About the ChemAxon presentations Desktop track: Applications for chemists Platform Session: Toolkits for building systems and serv…