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. 2022 Sep 3;23(17):10070. doi: 10.3390/ijms231710070

Figure 2.

Figure 2

Molecular features of the screening hits. (a) The activity screening yielded structurally novel and chemically diverse hits for six nuclear receptors. (b) FAM drugs active on nuclear receptors had a higher logP, a lower PSA, less HBA and HBD, less rotatable bonds, and a lower Csp3 fraction than the inactive compounds. * p < 0.05, ** p < 0.01, *** p < 0.001 (t-test). (c) The target prediction tools SuperPred [19], SwissTargetPrediction [20], and SEA [21] did not reproduce the screening results, suggesting that the dataset is a valuable addition for model training.