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Quantum similarity and discrete representation of molecular sets

✍ Scribed by Luz Dary Mercado; Ramon Carbó-Dorca


Book ID
106419988
Publisher
Springer
Year
2011
Tongue
English
Weight
364 KB
Volume
49
Category
Article
ISSN
0259-9791

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Three-dimensional (3D)-database searches are now being widely applied to determine potential new active molecules. Many structural data sets obtained as a result of these searches are still large in size. In this paper we apply molecular similarity calculations as a rapid method to screen two such d