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Table 2 Hit summary and comparison with Novartis diverse library HTRF screen results

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

Hit generation approach

Compound number

Hit Number (cutoff: 40% inhibition at 40 μM)

Hit Rate

Novartis diverse library HTRF screen

1,101,793

2715

0.025%

Pocket Crafter

2029

7

0.345%

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Journal of Cheminformatics

ISSN: 1758-2946

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