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Fig.6 | Journal of Cheminformatics

Fig.6

From: Pocket Crafter: a 3D generative modeling based workflow for the rapid generation of hit molecules in drug discovery

Fig.6

Histograms of WDR5 compounds distribution from Pocket Crafter after chemical-physical properties filtering. Filters are: A Molecular Weight (Molecular_weight) ≤ 800; B AlogP between -1 and 7; C Molecular Polar Surface Area (Molecular_PolarSurfaceArea or PSA) (Å2) < 125; D Number of Rotatable Bonds (Num_RotatableBonds) < 12. In each histogram, blue means compounds that passed all the other three filters and red means the compounds that failed either of the other three filters

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Journal of Cheminformatics

ISSN: 1758-2946

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