Fig. 1
From: Graph isomorphism-based algorithm for cross-checking chemical and crystallographic descriptions
Data flow diagram representing origins of the data, their conversions and performed comparisons. Rounded rectangles represent pieces of data and single direction arrows represent their transformations, with transforming processes and tools named on the arrows. Bidirectional arrows represent performed comparisons between SMILES with references to sections describing them. Letters in parentheses are used as shorthand references to the relevant sections and peer-reviewed publications: (a) “Chemical perception of crystallographic data”, (b) [11], (c) “Comparison of curated and chemical name-derived SMILES”, (d) “Interpretation of chemical names”. Prefix S denotes sections of Additional file 1