Selectivity Searching with 2D Fingerprints

Briefly, DynaMAD is designed to map database compounds to activity-specific consensus positions in chemical space representations of stepwise increasing dimensionality [38] and ACCS-FP is utilized in conventional fingerprint search calculations using multiple reference compounds [61]. 

Both search strategies reduced 3.7 M ZINC database compounds [29] to two candidate lists containing 51 and 49 compounds, respectively. After visual inspection 

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