Table 1.

Examples of recent chemoinformatic profiling of natural products (NPs) data sets.

Data Set	Goal and Approach	Reference
454 NP from Panama.	Build and characterize the contents and diversity of a NP collection from Panama. Comparison with NP from other geographical regions.	[24,25]
560 cyanobacteria metabolites (freshwater and marine).	Quantify the distribution of drug-like properties; measure the diversity using properties, molecular fingerprints, and molecular scaffolds.	[26]
209,574 compounds from the Universal Natural Products Database and other NPs.	Comparative analysis of molecular complexity diversity based on physicochemical properties, molecular scaffolds and fingerprints. Comparison with drugs approved for clinical use.	[23,27]
209,574 compounds from the Universal Natural Products Database, 423 molecules from BIOFACQUIM and other NPs.	Comparative analysis of the acid/based profile of NP from different sources. Comparison with drugs approved for clinical use and food chemicals.	[28]
503 NPs from Mexico collected in the BIOFACQUIM database.	Diversity analysis based on different molecular representations and ADME/Tox profiling.	[29,30]
578 compounds from honey bee and stingless bee propolis.	Analysis of chemical space, chemical diversity, and scaffold content.	[31]
897 metabolites from the Seaweed Metabolite Database (SWMD).	Diversity analysis based on different molecular representations.	[32]
1870 compounds from the Eastern Africa Natural Product Database (EANPDB).	Quantification of scaffold diversity and profiling of drug-likeness and ADME/Tox properties.	[19]
NPs from four NP data sets: phytochemica, SerpentinaDB, SANCDB, and NuBBEDB.	In silico profiling of ADME/Tox properties.	[33]
6524 NPs originating from about 3300 producer streptomycetes strains	In addition to names and molecular structures of the compounds, information about source organisms, references, biological role, activities, synthesis routes, scaffolds, physicochemical properties, and predicted ADMET properties is included.	[34]