JSM 2005 - Toronto

Abstract #304762

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Legend: = Applied Session, = Theme Session, = Presenter
Activity Number: 522
Type: Contributed
Date/Time: Thursday, August 11, 2005 : 10:30 AM to 12:20 PM
Sponsor: Biopharmaceutical Section
Abstract - #304762
Title: Statistical Design and Analysis of Pooling Experiments
Author(s): Katja Remlinger*+ and Jacqueline M. Hughes-Oliver
Companies: GlaxoSmithKline and North Carolina State University
Address: 5412 Silver Moon Lane, Raleigh, NC, 27606, United States
Keywords: Drug discovery ; Minimal collision ; Molecular descriptors ; Multiple trees ; Tanimoto similarity ; Uniform cell coverage designs
Abstract:

Discovery of a new drug involves screening large chemical libraries to identify new and diverse active compounds. Screening efficiency can be improved by testing compounds in pools. We consider two criteria to design pools: optimal coverage of the chemical space and minimal collision between compounds within a pool. Five pooling designs are applied to a public dataset. We evaluate each method by determining how well the design criteria are met. One pooling design, MC, emerges as a winner, but all designed pools clearly outperform randomly created pools. Furthermore, different analysis approaches of the pooling designs are investigated. Multiple trees are compared to model-based likelihood approaches with different covariate class definitions. Results show a model-based likelihood approach with a multiple-trees-lower-bound covariate class definition gives the best performance.


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Revised March 2005