Reaxys ® database was used, which comprises the different editions of the famous Gmelins Handbuch der anorganischen Chemie and Beilsteins Handbuch der organischen Chemie, along with the Patent Chemistry Database, all in digital form , constituting one of the largest and most complete databases of chemical knowledge to date, featuring historical labels. An extensive study on the growth of the chemical space is available at , which exposes a variety of important features, such as the exponential growth in the number of substances with time and trends in most used compositions, among others. A curated dataset was produced from Reaxys, which contains the following three fields: substance ID, molecular formula (MF), and year of first publication.