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. Author manuscript; available in PMC: 2022 Mar 15.
Published in final edited form as: ACS Sustain Chem Eng. 2021 Mar 4;9(10):3909–3919. doi: 10.1021/acssuschemeng.0c09139

Figure 4.

Figure 4.

Distribution of the predicted averaged affinities of opioids and DrugBank molecules to four opioid receptors: (A) MOR, (B) KOR, (C) DOR, and (D) NOR. For compounds in the probe data set and DrugBank data set, the predicted pKi or pIC50 range was normalized to [0,1]. Normalized predictions for the same receptor were averaged, and their distributions are shown. Red and blue dashed lines indicate the mean prediction values of opioids and DrugBank molecules, respectively.