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. 2020 May 2;34(10):1013–1026. doi: 10.1007/s10822-020-00314-0

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© The Author(s) 2020

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Fig. 4 — Comparative interpretation of RF- and GBM-based potency prediction. In a, positive (red) and negative (blue) feature contributions are compared for RF- and GBM-based regression models. The predicted pK_i values are shown in bold and different colors for RF (yellow) and GBM (orange). White numbers give indices of top-ranked features. b The top-1 and top-5 ranked features are mapped onto the compound. These features are common to both models