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Fig. 3 | BMC Chemistry

Fig. 3

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

Fig. 3

AD Vina’s predictability evaluation. (A) AD Vina’s results distribution. (B) A 2D scatter plot between AD Vina and experimental data. The red dashed line indicates a selection criterion at the average value of each axis. A label close to each point in the plot represents a compound number in the library. (C) A confusion matrix summarizes the 2D scatter plot. (D) AD Vina’s 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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