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Import .sdf dataset using python API
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General discussions about using StarDrop. Please use one of the other forums for more specific issues.
#326
Import .sdf dataset using python API
prastegaev
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Hi
Please advice if there is any way to import .sdf files using python script. I was able to import csv files, but it does not works with sdf. Is there any way to do it from the box, or I should I convert .sdf to csv first?
 
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#327
Re:Import .sdf dataset using python API
chris
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The StarDrop python API can be used construct a StarDrop data set from an sdf file. The function appui.getSmilesFromMolFile will generate an appropriate smiles string that can then be used to create the StarDrop data entry.

As each customisation typically has its own requirements, we would recommend contacting us at stardrop-support@optibrium.com for advice on the best way to achieve your particular goals
 
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