On the (F)utility of Extending the Molfile Format

Richard L. Apodaca · 2012

MDL V2000 molfile format is the closest thing cheminformatics has to a universally-adopted standard. First publicly described in depth in 1991 and developed over the previous 13 years, the molfile format is read and written by nearly all software doing anything significant with organic chemical structures today. Think about this for a moment - the lingua franca of cheminformatics predates Windows 3.0 and the World Wide Web.

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