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Contact-based ligand-clustering approach for the identification of active compounds in virtual screening

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https://hal-univ-paris.archives-ouvertes.fr/hal-03684866
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Submitted on : Wednesday, June 1, 2022 - 4:40:34 PM
Last modification on : Saturday, June 25, 2022 - 3:43:28 AM

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Gildas Bertho, Alexey Mantsyzov, Guillaume Bouvier, Nathalie Evrard-Todeschi. Contact-based ligand-clustering approach for the identification of active compounds in virtual screening. Advances and applications in bioinformatics and chemistry, 2012, pp.61. ⟨10.2147/AABC.S30881⟩. ⟨hal-03684866⟩

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