Skip to main content
Fig. 4 | BMC Chemistry

Fig. 4

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

Fig. 4

DOCK6gs’ predictability evaluation. (A) DOCK6gs results distribution. (B) A 2D scatter plot between DOCK6gs 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 (DOCK6gs scoring function). Points in the plot represent a compound number in the library. (C) A confusion matrix summarizes the 2D scatter plot. (D) DOCK6gs’ ROC curve and area. This figure is generated by Jupyter Notebook using the Matplotlab package

Back to article page

BMC Chemistry

ISSN: 2661-801X

Contact us