. 2021 Sep 10;61(9):4758–4770. doi: 10.1021/acs.jcim.1c00744

Table 2. NPVs Computed for All of the Developed Classifiers on the Basis of Docking Scores (Top) and Docking Scores and IFs (Bottom) Using GLIDE (Left) and GOLD (Right) as Software^a Programs.

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Notice that different inactivity thresholds (μM) were considered, as described in the Materials and Methods section. For the sake of clarity, NPV values >0.50 and ≤ 0.65, > 0.65 and ≤ 0.75, and >0.75 are reported in red, orange, and green, respectively.

Table 2. NPVs Computed for All of the Developed Classifiers on the Basis of Docking Scores (Top) and Docking Scores and IFs (Bottom) Using GLIDE (Left) and GOLD (Right) as Softwarea Programs.

Table 2. NPVs Computed for All of the Developed Classifiers on the Basis of Docking Scores (Top) and Docking Scores and IFs (Bottom) Using GLIDE (Left) and GOLD (Right) as Software^a Programs.