Croatica Chemica Acta, Vol. 86 No. 4, 2013.
Izvorni znanstveni članak
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
Sažetak
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)
Ključne riječi
high throughput screening (HTS); plate-based diverse subset (PBDS); combinatorial optimization
Hrčak ID:
112768
URI
Datum izdavanja:
16.12.2013.
Posjeta: 1.546 *