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Article Dans Une Revue Molecular Informatics Année : 2017

VSPrep: A General KNIME Workflow for the Preparation of Molecules for Virtual Screening

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hal-02904764 , version 1 (22-07-2020)

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José-Manuel Gally, Stéphane Bourg, Quoc-Tuan Do, Samia Aci-Seche, Pascal Bonnet. VSPrep: A General KNIME Workflow for the Preparation of Molecules for Virtual Screening. Molecular Informatics, 2017, 36 (10), pp.1700023. ⟨10.1002/minf.201700023⟩. ⟨hal-02904764⟩
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