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Fig. 1 | Journal of Cheminformatics

Fig. 1

From: DrugTax: package for drug taxonomy identification and explainable feature extraction

Fig. 1

Graphical representation of each of the 31 superclasses. Organic molecules are highlighted in green, while inorganic molecules are shown in red. The molecules depicted are: organoheterocyclic-imidazole (i); organosulphur-glutathione (ii); lipid molecule-behenic acid (fatty acid) (iii); allene-fucoxanthin (iv); benzenoid-benzene hexacarboxylic acid (v); phenylpropanoid-phenylalanine (vi); organic acid-butyric acid (vii); alkaloid-morphine (viii); organic salt-acetate (ix); organohalogen-acetyl chloride (x); organometallic-ferrocene (xi); organic nitrogen-pyrrole-2-carboxylate (xii); nucleotide-guanine (xiii); organic oxygen-ethanol (xiv); organophosphorus-diethyl phosphonate (xv); lignans and neolignans-matairesinol (xvi); organic polymer-starch (xvii); hydrocarbon-octane (xviii); hydrocarbon derivative-ethanol (xix); organic anion-phosphate (xx); organic cation-choline (xxi); organic zwitterion-ammonium propionate (xxii); carbene-dichlorocarbene (xxiii); organic 1,3-dipolar-nitrone molecule (xxiv); organopnictogen-N-(4-phenylamino-quinazolin-6-yl)-acrylamide (xxv); acetylide-lithium acetylide (xxvi); homogenous metal - cerium with mixed metals (xxvii); homogenous non-metal-noble gas helium (xxviii); mixed metal/non-metal-potassium nitrate (xxix); inorganic salt-sodium chloride (xxx); miscellaneous inorganic-cyanide (xxxi)

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