Presentations
 

Upcoming Talks

March 2010 at the National ACS Meeting in San Francisco:
Effects of torsional sampling bias on a multi-objective genetic algorithm.

Other Recent Presentations

October 2009 at the GTCBio Conference on Partnering, Licensing & Outsourcing in San Diego CA:
Trust but Verify: Getting the Most Out of ADME/Tox Screening.

March 2009 at the ACS National Meeting in Salt Lake City UT:
 At what point does docking morph into 3D QSAR?

November 2008 at ANNIE 2008 in St. Louis MO:
To Pareto or Not to Pareto, That is the Question.

August 2008 at the ACS National Meeting in Philadelphia PA:
Looking for some good vibrations.

June 2008 at the 8th ICCS in Noordwijkerhout, the Netherlands (Poster):
The Effect of Structural Redundancy on Virtual Screen Performance.

April 2008 at the ACS National Meeting in New Orleans LA:
    Localizing uncertainty in PLS predictivity; and
Both sides now: An intimate perspective on collaborations.

August 2007 at the ACS National Meeting in Boston MA:
    The role of alignment in 3D QSAR; and
Validation and the downside of the law of large numbers; and
Generating diverse and biologically relevant ensembles of ligand conformers:
Addressing flexible rings using a generalized knowledge-based approach.

June 2007 at the 4th Joint Sheffield Conference on Cheminformatics:
When Worlds Collide: Looking for Answers to "The Alignment Problem"

May 2007 at the Mid-Atlantic Regional ACS Meeting in Collegeville PA:
A staged multi-objective approach to finding selective pharmacophores.

March 2007 at the ACS National Meeting in Chicago IL:
    Generalized knowledge-based approach to quickly generating diverse but
    energetically representative ensembles of ligand conformers.

November 2006 at ANNIE 2006 in St. Louis MO:
Sex and the single GA.

October 2006 at eCheminfo Community InterAction meeting in Philadelphia PA:
    Challenges of ADME/Tox Prediction.

September 2006 at the ACS National Meeting in San Francisco CA:
    What's a drug designer to do?; and
    Using pharmacophoric and pharmacosteric multiplets to characterize binding sites.

March 2006 at the ACS National Meeting in Atlanta GA:
    A marriage made in torsional space: Using GALAHAD models to drive
        pharmacophore multiplet searches.

September 2005 at the ACS National Meeting in Atlanta GA:
Putting the "Structure" in (Q)SAR into context.

June 2005 at the 7th ICCS in Noordwijkerhout, the Netherlands:
    Aligning Ligand Ensembles in Multiplet Space.