title: Information entropy-based classification of triterpenoids and steroids from Ganoderma.
abstract: A set of 71 triterpenoid and steroid compounds from Ganoderma were periodically classified using a procedure based on information entropy with artificial intelligence. Six features were used in hierarchical order to classify the triterpenoids and steroids structurally. The phytochemicals belonging to the same group in the periodic table present similar antioxidant activity, and those compounds belonging to the same period exhibit maximum resemblance. The periodic classification is related to the experimental bioactivity and antioxidant potency data that are available in the literature: a steroid with a three-ketone group conjugated with two carbon-carbon double bonds in the right side of the periodic table exhibits the greatest antioxidant activity.
authors.affiliation: Departamento de Ciencias Experimentales y Matemáticas, Facultad de Veterinaria y Ciencias Experimentales, Universidad Católica de Valencia San Vicente Mártir, Guillem de Castro-94, E-46001 València, Spain. Electronic address: gloria.castellano@ucv.es.
authors.forename: Gloria
authors.initials: G
authors.lastname: Castellano
authors.affiliation: Institut Universitari de Ciència Molecular, Universitat de València, P.O. Box 22085, E-46071 València, Spain.
authors.forename: Francisco
authors.initials: F
authors.lastname: Torrens
mesh_terms: D000465:Algorithms; D000975:Antioxidants / Q000737:chemistry / Q000302:isolation & purification*; D001185:Artificial Intelligence; D004365:Drugs, Chinese Herbal / Q000737:chemistry; D019277:Entropy; D032902:Ganoderma / Q000737:chemistry*; D015394:Molecular Structure; D013256:Steroids / Q000737:chemistry / Q000302:isolation & purification* / Q000494:pharmacology; D013329:Structure-Activity Relationship; D014315:Triterpenes / Q000737:chemistry / Q000302:isolation & purification* / Q000494:pharmacology
chemical_list: D000975:Antioxidants; D004365:Drugs, Chinese Herbal; D013256:Steroids; D014315:Triterpenes
keywords: Bioactivity; Ganoderma; Mushroom; Steroid; Structure and activity relationship; Superoxide anion generation; Triterpenoid