Click here to start

Table of contents

Tversky Shape Clustering for Screening Data

Outline

PowerPoint Presentation

Symmetry vs Asymmetry

Asymmetric Measure Defined

Tversky Measure For Shape

Example Shape Comparison with Tversky

Slide 8

Slide 9

Slide 10

Slide 11

Asymmetric Taylor Non-Disjoint Version

Slide 13

Slide 14

The Conformer Problem – Finding a Needle in a Haystack

Modules in Action

Calcium Ion Channel Actives

Flexibility of Calcium Ion Channel Active Ligands

Representative Shapes for Calcium Ion Channel Ligands – Symmetric Clustering Results

Flexible Calcium Ion Channel Ligands Hits Against Representative Compounds – Symmetric Results

Calcium Ion Channel Ligands – The Numbers

Representative Shapes for Calcium Ion Channel Ligands – Asymmetric Clustering Results

Flexible Calcium Ion Channel Ligands Hits Against Representative Compounds – Asymmetric Results

The HIV-RT Experiment

Flexibility of HIV-RT Moderately Active Ligand

HIV-RT Highly Active Ligands Hitlist Results

Example of Highly Active HIV-RT Ligand Hit

Russian Doll Teaser

Acknowlegments

Author: Norah and John Maccuish