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À propos de : Virtual Compound Libraries: A New Approach to Decision Making in MolecularDiscovery Research        

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  • Virtual Compound Libraries: A New Approach to Decision Making in MolecularDiscovery Research
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  • Virtual compound libraries, descriptions of all of the structures that might be produced by specifiedtransformations involving specified reagents, are especially useful in molecular discovery when suitablyfast and relevant searching techniques are available. Issues to be considered include fundamental datastructures, neighborhood searching principles, useful searching approaches and techniques, library definitionand construction, algorithmic details of library comparison, and user interfaces.
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