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Fig. 5 | BMC Chemistry

Fig. 5

From: Utilizing machine learning-based QSAR model to overcome standalone consensus docking limitation in beta-lactamase inhibitors screening: a proof-of-concept study

Fig. 5

DOCK6des’ predictability evaluation. (A) DOCK6des results distribution. (B) A 2D scatter plot between DOCK6des and experimental data. The red dashed line indicates a selection criterion at the average value of each axis. The blue dashed line is a new recentering criterion point after ignoring an outliner data of the y-axis (DOCK6des scoring function). Points in the plot represent a compound number in the library. (C) A confusion matrix summarizes the 2D scatter plot. (D) DOCK6des’ ROC curve and area. This figure is generated by Jupyter Notebook using the Matplotlab package

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BMC Chemistry

ISSN: 2661-801X

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