The collection of natural substances derived from African plants involves reviewing journal articles and patents related to studies conducted on plants found in Africa in order to extract the following information: Diseases, kingdom, Family, Genus, Species, Parts, Molecule Name, class_name, subclass_name, PubChem ID, Molecule ChEMBL ID, Molecule Max Phase, Molecular Weight, #RO5 Violations, AlogP, Compound Key, Smiles, inchi, Standard Type, Standard Relation, Standard Value, Standard Units, pChEMBL Value, Data Validity Comment, Comment, Uo Units, Ligand Efficiency BEI, Ligand Efficiency LE, Ligand Efficiency LLE, Ligand Efficiency SEI, Potential Duplicate, Assay ChEMBL ID, Assay Description, Assay Type, BAO Format ID, BAO Label, Assay Organism, Assay Tissue, ChEMBL ID, Assay Tissue Name, Assay Cell Type, Assay Subcellular Fraction, Assay Parameters, Assay Variant Accession, Assay Variant Mutation, Target ChEMBL ID, Target Name, Target Organism, Target Type, Document ChEMBL ID, Source ID, Source Description, Document Journal, Document Year, Cell ChEMBL ID, Properties, Action Type, Standard Text Value, Value, pmid and link.
This information is compiled into a table and subjected to chemoinformatics analysis using Orange. This made it possible to filter out duplicates, classify the structures into clusters, and generate the structures in SDF format.