DG-Bio

                               Bio for David A. Gallagher, C.Chem.

David studied chemistry at the University of Kent at Canterbury in England and at the University of London. He was one of the founding members of the CAChe Group in 1989, that developed the award-winning computer-aided chemistry tool, the CAChe WorkSystem, for experimental chemists and biochemists. David has continued to be active in the application and development of computational chemistry methods while working for Tektronix, Oxford Molecular, Fujitsu, and CAChe Research.

Recent Professional Experience (summary)

2006 President & CEO, CAChe Research, Portland, Oregon, USA
2000 VP, Sales & Mktg. for CAChe Group, Fujitsu, USA
1998 Scientific Consultant to CCS, Fujitsu Ltd. Japan
1995 VP, Director of Asia Pacific Sales, Oxford Molecular Inc. USA
1991 VP, Director of Sales for CAChe Scientific Inc. USA
1989 Sales & Marketing Manager, CAChe Group, Tektronix Inc., USA

Research Project

   OpenTox – an EC funded FP7 Research Project (1 September 2008 – 2011)
   OpenTox is a EC funded project to create an open source framework and unified
   access to toxicity data and QSAR (quantitative structure-activity relationships)
   models with supporting validation and interpretation. OpenTox will address
   aspects of the REACH legislation and will extend access to non-animal-testing
   methods for toxicologists and other scientists who are not experts in QSAR.

Publications (recent)

1. Collaborative development of predictive toxicology applications, B. Hardy et al,
    Journal of Cheminformatics 2010, 2:7, Aug 2010 (doi:10.1186/1758-2946-2-7)

2. New Insights into the Chemistry of Amino Acid Complexes of Copper, L. Borer,
    D. Gallagher, ChemBioNews, July 2005, 15.1

3. Predicting Environmental Remediation Rates, David A. Gallagher, Today’s
    Chemist at Work, Oct 2001, p. 57-60

4. Scherer M.M., Balko B.A., Gallagher D.A., Tratnyek P.G., Correlation analysis
    of rate constants for dechlorination by zero-valent iron, JACS Journal of
    Environmental Science & Technology, 1998, 32, 3026-3033

5. Gallagher D.A., & Liang C., QSPR Prediction of Vapor Pressure from Solely
    Theoretically-Derived Descriptors, Journal of Chemical Information and Computer
    Science, Vol. 38, #2, P 321-4 1998

6. Prediction of physical and chemical properties by quantitative structure-property
    relationships, D. A. Gallagher & C. Liang, American Laboratory, March 1997

7. Computer-aided Chemistry Techniques Reveal Thermal Degradation
    Mechanisms of Polymers, D. A. Gallagher, Scientific Computing and
    Automation, June 1996

Presentations at ACS & AIChE Meetings (recent)

1. The Paradigm Shift From 'in Vitro' to 'in Silico' Experimentation, Offers Important
     New Benefits for Education, David A. Gallagher, Nov 2010 AIChE Salt Lake City

2. A picture is worth a thousand test-tubes: Visualization of computational models
     provides novel insights that aid understanding of physical and chemical
     properties, David A. Gallagher, March 2010: ACS, San Francisco

3. Quantum Chemistry Simulation of the Condensed Phase Reactions of
     Bisglycinato Copper(II), Overturns Accepted Theory, David A. Gallagher,
     November 2009: AIChE, Nashville, TN.

4. Virtual Experiments and Graphical Insights Into Thermodynamics, David A.
     Gallagher, November 9, 2009, AIChE, Nashville, TN.

5.   A Review of Computational Methods for Predicting Environmental Transport and
      Fate, David A. Gallagher, AIChE, Philadelphia. November 2008

6.   Using Computational Methods to Design Experiments, David A. Gallagher,
      AIChE, Philadelphia. November 2008

7. Pre-screening for environmentally-important properties through computational
     chemistry, David A Gallagher, ACS/AIChE Meeting, New Orleans, April 8, 2008

8. Understanding The Fundamental Phenomena That Influence Physical Properties
     And Fluid Thermodynamics; David A. Gallagher, 2007 AIChE Annual Meeting,
     Salt Lake City, Nov. 6, 2007

9. New Insights Into Solvation Effects, Resolves An Apparent Paradox; David A.
     Gallagher, 2007 AIChE Annual Meeting, Salt Lake City, Nov. 5, 2007

10. Effects of solvation on the chemistry of amino acid complexes of copper;
      David Gallagher, 230th ACS National Meeting, in Washington, DC, Aug 3, 2005

11. Fast prescreening of agrochemical candidates for environmental risk; David
      Gallagher, Pacifichem 2005, Honolulu, HI., Dec 16, 2005

12. Cis-trans isomerization of copper (II) diglycinate, new insights from quantum
      chemistry; David Gallagher, Pacifichem 2005, Honolulu, HI., Dec 18, 2005

13. Prediction of environmental fate, remediation and toxicity by computer-aided
      chemistry; David Gallagher, ACS 228th National Meeting, Philadelphia, PA,
      Aug 22, 2004

14. Novel insights into reaction mechanisms from computer-aided chemistry;
      David Gallagher, 221st ACS National Meeting in San Diego, Apr 1, 2001

Workshop Presentations (recent)

1. ACS Workshops: (1) QSAR, (2) Structure-guided Drug Design, (3) Reaction
    Modeling, Tuesday 12th September 2006, San Francisco, CA, USA

2. Latest Advances in Drug Discovery Design & Planning Methods, echeminfo
    workshop, 3 July 2006, Chemistry Research Laboratory, Oxford University.

3. Drug Discovery Training Seminars: 1) Structure-Guided Drug Design;
    2) Quantitative Structure-Activity Relationships (QSAR). April 1, 2004, UCSD
    Extension, San Diego, CA, USA

Patent

    United States Patent 20070179770: Automatically retaining settings of
    computations on models of molecules for automatic use in subsequent
    computations