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Table 4 Description of the representative compounds (centroid, ECFP4/Tanimoto) associated to each pharmacophore (with the alignment between molecules and pharmacophores) in the black area and in brackets, the number of associated chemicals

From: Towards a partial order graph for interactive pharmacophore exploration: extraction of pharmacophores activity delta

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Journal of Cheminformatics

ISSN: 1758-2946

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