ChemPlot, a Python Library for Chemical Space Visualization

Invited for this month's cover is the Autonomous Energy Materials Discovery [AMD] Group of Dr. Süleyman Er at DIFFER, and colleagues at CCER and Eindhoven University of Technology (Netherlands). The cover picture shows the ChemPlot‐visualized reduced chemical space of molecules enhanced with two‐dimensional illustrations of molecules. In addition to being easy‐to‐use, free and open source, a noteworthy feature of ChemPlot is the application of tailored similarity for the property‐sensitive visualization of chemical spaces. ChemPlot streamlines the analysis of molecular datasets by reducing the information to human perception level, tackling the activity/property cliff problem, and facilitating the assessment of the applicability domain of machine learning models in molecular studies. Read the full text of their Research Article at 10.1002/cmtd.202200005. “… We developed a new chemical space visualization tool, the ChemPlot, which enables both the basic and advanced users to effectively visualize the chemical space of their molecular datasets in two‐dimensions…” Find out more about the story behind the front cover research at 10.1002/cmtd.202200005.