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Fig. 7 | Journal of Cheminformatics

Fig. 7

From: Off-targetP ML: an open source machine learning framework for off-target panel safety assessment of small molecules

Fig. 7

PCA of the Roche-Excape combined datasets for the two targets: a PTGFR and b PDE4D. Pink dots represent the Excape compounds, blue dots represent the Roche compounds. The x axis and y axis represent the first two components of the PCA and the percentages indicated represents the variance explained by each component. The ellipses represent the confidence intervals and is implemented through stat_ellipse function in R ggplot2 package

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