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Statistical molecular design: a tool to follow up hits from small-molecule screening.
MedLine Citation:
PMID:  24306873     Owner:  NLM     Status:  In-Data-Review    
Abstract/OtherAbstract:
In high-throughput screening (HTS) a robust assay is used to interrogate a large collection of small organic molecules in order to find compounds, hits, with a desired biological activity. The hits are then further explored by an iterative process where new compounds are designed, purchased, or synthesized, followed by an evaluation in one or more assays. Statistical molecular design (SMD) is a useful method to select a balanced, varied, and information-rich compound collection based on hits from HTS in order to create a foundation for development of optimized compounds with improved properties. In this chapter, we describe the use of SMD to explore a hit obtained from small-molecule screening.
Authors:
Anders E G Lindgren; Andreas Larsson; Anna Linusson; Mikael Elofsson
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Publication Detail:
Type:  Journal Article    
Journal Detail:
Title:  Methods in molecular biology (Clifton, N.J.)     Volume:  1056     ISSN:  1940-6029     ISO Abbreviation:  Methods Mol. Biol.     Publication Date:  2014  
Date Detail:
Created Date:  2013-12-05     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  9214969     Medline TA:  Methods Mol Biol     Country:  United States    
Other Details:
Languages:  eng     Pagination:  169-88     Citation Subset:  IM    
Affiliation:
Department of Chemistry, Umeå University, Umeå, Sweden.
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