How do you decide which molecular descriptors to use in a QSAR model?

Created byJarrod Kanizay AvatarJarrod KanizayChemo-informatics

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I am building QSAR models and keep running into the problem of choosing descriptors that are both interpretable and predictive.

There are so many options that the choice often feels arbitrary, and reviewers ask why I picked one set over another.

How do you decide which descriptors to include, and how do you justify that choice in a paper?

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