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 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.
Gorse
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Synt:em, Parc Scientifique Georges Besse, Nîmes, 30000, France. DGorse@syntem.eerie.fr
Lahana
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D020650:Combinatorial Chemistry Techniques; D015394:Molecular Structure