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Table 1 Secondary layer filters for WDR5 hit calling in Pocket Crafter workflow

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

Filter

Criteria cutoff

SAscore

 ≤ 4

QED score

 ≥ 0.5

GBVI/WSA ΔG score

 ≤ -6

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Journal of Cheminformatics

ISSN: 1758-2946

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