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Create a molecules table from a list of IU... (1)
Scripts that uses OPSIN to convert IUPAC names into chemical structures, which are saved as SD file and openend in the Bioclipse molecules table.
Created: 2011-05-25 | Last updated: 2011-05-25
Credits: Egon Willighagen
Calculate molecular mass for entries in a ... (1)
Simple script to demonstrate how to iterate over entries in a MDL SD file and calculate some molecular property.
Created: 2010-03-08
Credits:
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