Pharmacophore Discovery and Pharmacophore-based Modelling, chaired by John van Drie (Novartis)

The persistent power of pharmacophores in computer-aided drug design, John van Drie (Novartis)

Gibbs Sampling for Pharmacophore Identification, Stan Young (National Institute of Statistical Sciences)

Evaluation of diverse approaches for pharmacophore model generation: Application to a series of HIV-1 integrase inhibitors, Rajeshri Karki (NIH)

Generation of Multiple Pharmacophore Hypotheses Using a Multiobjective Genetic Algorithm, Val Gillet (University of Sheffield)

All registrants and members are eligible to submit a Poster. Attendees may view and discuss the Posters and leave messages for the authors on the Web site.

Poster Abstracts (of ca. 300 words) with Title, Institution, Authors and Contact Information should be submitted for consideration to echeminfo at douglasconnect.com Posters can be presented as HTML, pdf, Powerpoint or Word documents.

Quality Control in QSAR Model Development, Alex Tropsha (University of North-Carolina)

Enhancing the Diversity of a Corporate Collection - Strategies from a Recent Acquisition, Alan Gibbs (Johnson & Johnson)

Predictive models for CDK2 inhibition: Using crystal structures, machine learning, and novel pharmacophore descriptors to build models for library design, Greg Landrum (Rational Discovery)

Designing better libraries using active learning: Performance of different library-design strategies in a simulated CDK2 drug discovery program, Santosh Putta (Rational Discovery)

Graphical and automated analysis of the chemical information within hybrid shape/property descriptors in kernel-based models with feature selection, Curt Brennan (Rensselaer Polytechnic Institute)

Non-parametric Methods for Identifying the Robust QSAR Models, Bob Clark (Tripos)

Different approaches to QSAR models’ validation, Paola Gramatica (University of Insubria)

Ligand-based de novo Design Techniques, Philip Dean (De Novo Pharmaceuticals)

New Neural Net Based Predictors for Several ADME/Tox Properties: Aqueous Solubility, % Human Oral Absorption, and GenoTox (Ames) using Topological Descriptors, Joseph R. Votano (ChemSilico)

Correlating gene expression with classes of cytotoxic agents: identifying substrates and inhibitors of mdr1, Paul Blower (Leadscope)

ADMET Predictions by Linking QSPR and Simulation, Michael B. Bolger (Simulations Plus)

Application of privileged substructure identification to drug discovery, Christophe Cleva (Serono)

Advances in Consensus Modeling for ADME/Tox Prediction, Gregory M. Banik (Bio-Rad Laboratories)

Extended pharmacophores in virtual screening for drug discovery, David Lloyd (De Novo Pharmaceuticals)