Extended Data Fig. 1: The distribution of docking-prioritized and experimentally active (blue) and non-active (orange) molecules from two different docking campaigns as a function of the Tanimoto similarity to their nearest neighbor in the bio-like molecule set. | Nature Chemical Biology

Extended Data Fig. 1: The distribution of docking-prioritized and experimentally active (blue) and non-active (orange) molecules from two different docking campaigns as a function of the Tanimoto similarity to their nearest neighbor in the bio-like molecule set.

From: Modeling the expansion of virtual screening libraries

Extended Data Fig. 1

The docking campaigns from left to right are a. the melatonin receptor and b. the Nsp3 macrodomain.

Source data

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