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Article: New chemical modeling study results reported from W.P. Vanhoorn et al.(Report)
- Article from:
- Chemicals & Chemistry
- Article date:
- November 20, 2009
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According to a study from Sandwich, the United Kingdom, "The Pfizer Global Virtual Library (PGVL) is defined as a set compounds that could be synthesized using validated protocols and monomers. However, it is too large (10(12) compounds) to search by brute-force methods for close analogues of a given input structure."
"In this paper the Bayesian Idea Generator is described which is based on a novel application of Bayesian statistics to narrow down the search space to a prioritized set of existing library arrays (the default is 16). For each of these libraries the 6 closest neighbors are retrieved from the existing compound file, resulting in a screenable ...