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12:28 PM
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Q: How to select the best features for a drug discovery model?

vorsamaqoyI would like to build a regression model to predict a property of molecules not yet synthesized. I have calculated 5666 alvadesc descriptors for each SMILES in my experimental dataset, but comparing various models with LazyPredict I get poor R^2 values. I would like to know how to effectively sel...

I removed them. Raising the rep requirements wouldn't have helped because this user has over 300 (enough to create tags on Academia.SE for example). But 150 seems too low to create tags on MMSE.
 

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