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.