Fig. 2
From: Quantum Chemistry Dataset with Ground- and Excited-state Properties of 450 Kilo Molecules
Analysis of molecular ring distribution and category diversity in the QCDGE dataset. (a) Distribution of molecules by the number of rings. The histogram illustrates the counts of molecules categorized by their corresponding ring numbers. (b) Diversity of molecular categories. The horizontal axis quantifies the number of molecules examined, while the vertical axis lists several types of molecules discovered. Each bar represents the frequency of a particular molecular type.
