Wednesday, April 12, 2006

Excel VBA Program to Extract SMILES and MW from usefulchem-molecules

I have developed a VBA program for Microsoft Excel which downloads the usefulchem-molecules web page, extracts the entries, and creates a spreadsheet of SMILES and corresponding molecular weights. To calculate MWs, the program currently uses one of the web services available from Rajarshi Guha at Penn State.

To use this program, download the Excel workbook and the initialization file. (make certain both files are downloaded into the same folder). Opening this workbook creates a worksheet with a button that executes the program.

Note: if you are having problems properly downloading these files, you can attempt downloading the zip file which contains both of them, compressed. This should work.


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