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To generate molecular descriptors that can be used in downstream machine learning.

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descriptor

The original paper is on https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0258-y

The following Binder link provides a readily installed Mordred and other tools to generate and process the calculated molecular descriptors, which can be used in downstream machine learning model building.

Launch Mordred from here

Binder

you could use a similar filtering code to filter those columns with values that is not a number

# Identify and drop columns with non-numeric values
non_numeric_columns = df.apply(pd.to_numeric, errors='coerce').isna().any()
df = df.loc[:, ~non_numeric_columns]

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To generate molecular descriptors that can be used in downstream machine learning.

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