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Hoffmann, R. A wiki for the life sciences where authorship matters. Nature Genetics (2008)

An artificial intelligence approach to the study of the structural moieties relevant to drug-receptor interactions in aldose reductase inhibitors.

The computer-automated structure evaluation program has been used to study 482 compounds relevant to the inhibition of the aldose reductase enzyme. Major activating/inactivating fragments were generated automatically. The significance of these molecular descriptors with respect to the activity of the compounds is discussed.[1]


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