Functional diversity of compound libraries

The ideal designed screening library should contain compounds with a variety of structural shapes and molecular properties, while avoiding redundancies. Other requirements involve the need to find structurally distinct leads and to recognise drug-like molecules. Functional diversity analysis is one...

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Bibliographic Details
Published in:Current Opinion in Chemical Biology 2000-06, Vol.4 (3), p.287-294
Main Authors: Gorse, Dominique, Lahana, Roger
Format: Article
Language:English
Subjects:
Combinatorial Chemistry Techniques
Library design
Molecular descriptors
Molecular diversity
Molecular Structure
Pharma-informatics
Structure–activity relationships
Virtual screening
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Summary:The ideal designed screening library should contain compounds with a variety of structural shapes and molecular properties, while avoiding redundancies. Other requirements involve the need to find structurally distinct leads and to recognise drug-like molecules. Functional diversity analysis is one way in which these objectives can be achieved. For this, molecular descriptions that relate to both structure and properties of molecules are needed, as well as their evaluation in terms of biological relevance.
ISSN:1367-5931
1879-0402
DOI:10.1016/S1367-5931(00)00091-0