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How to read sdf files using mordred to generate molecular descriptors? #79

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EswarKalaga opened this issue Oct 11, 2019 · 2 comments

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@EswarKalaga
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Hello All,

I am working on project where i am using ChemDraw to draw a chemical structure of a polymer and I am saving it as sdf file. Then I am trying to read the created sdf file using Jupyter notebook -Python 3.0, but I it could not read, Also where ever the examples of mordred files in this repository on reading molecules in SMILES format . So can anyone help me with how to read the sdf file formats. ?

Sincerely,
Eswar

@hori1537
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@plkx
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plkx commented Feb 4, 2021

#93 (comment)

The above link provides an actual command example for an SDF. The file is an attachment to that thread.

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