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Version 1.03 of InChI algorithm

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The InChI Trust and the International Union of Pure and Applied Chemistry (IUPAC) have released a new version of the IUPAC International Chemical Identifier (InChI) open-source software.

The InChI algorithm turns chemical structures into machine-readable strings of information. Among other enhancements, version 1.03 integrates the generation of the standard InChI string and non-standard, customised strings. The new version also fixes a number of minor bugs such as clarifying how undefined/unknown stereochemistry is handled, and some structure perception and stereo interpretation option issues.