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This is reflected in the use of the pharmacophore and score concepts in docking softwares.

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These approaches are of high interest in pharmaceutical industry, in order to search for Hits with Virtual screening, or to optimize a Lead. Review and discussion, opening on other methods shape comparison, proteins sites comparison, druggability prediction.

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Optimal assignment methods for ligand-based virtual screening

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Chemoinformatics approaches to virtual screening [2008]

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