Original scientific paper

https://doi.org/10.5562/cca2301

A Heuristic Algorithm for Plate SelectionThat Maximizes Compound Diversity

Hongyao Zhu ; Pfizer Worldwide Research and Development, Groton, Connecticut, United States
Jacquelyn Klug-McLeod ; Pfizer Worldwide Research and Development, Groton, Connecticut, United States
Gregory A. Bakken ; Pfizer Worldwide Research and Development, Groton, Connecticut, United States

Abstract

A heuristic algorithm was developed to maximize compound diversity within a subset of screening
plates used in high throughput screening (HTS) to initiate the drug discovery process. The approach
overcame the challenge of combinatorial explosion for selecting plate subsets with maximum compound
diversity. The method yielded novel forms of plate-based diversity subsets (PBDS) for HTS screening in
lead discovery. The algorithm, its validation and the application to our screening collection are outlined.
(doi: 10.5562/cca2301)

Keywords

high throughput screening (HTS); plate-based diverse subset (PBDS); combinatorial optimization

Hrčak ID:

112768

URI

https://hrcak.srce.hr/112768

Publication date:

16.12.2013.

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