| International Chemical Identifier |
Article Index for International |
Website Links For International |
Information AboutInternational Chemical Identifier |
| CATEGORIES ABOUT INTERNATIONAL CHEMICAL IDENTIFIER | |
| chemical nomenclature | |
| encodings | |
| chemical file formats | |
| cheminformatics | |
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The InChI algorithm converts input structural information into the identifier in a three-step process: normalization (to remove redundant information), canonicalization (to generate a unique set of atom labels), and serialization (to give a string of characters). EXAMPLES LAYER TYPES There are six InChI layer types: # Main layer # Charge layer # Stereochemical layer # Isotopic layer # Fixed-H layer # Reconnected Layer SUB-LAYERS Each layer can be split into sub-layers. For example, the main layer can be split up into three sub-layers: # Chemical Formula (no prefix) # Atom Connection s (prefix: "c") # Hydrogen atoms (prefix: "h") NOTATION Layers and sub-layers are both separated by the "/" delimiter. All layers and sub-layers (except for the chemical formula sub-layer of the main layer) start with a lower-case letter indicating the type of information held in that layer. SEE ALSO EXTERNAL LINKS
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