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Revert "fix bug with features unordered and standardizer refit for ap…
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…plicability domain"

This reverts commit 79a4c24.
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HellevdM committed Mar 10, 2024
1 parent 79a4c24 commit f6689f7
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion qsprpred/models/models.py
Original file line number Diff line number Diff line change
Expand Up @@ -562,7 +562,7 @@ def predictMols(
# return predictions and if mols are within applicability domain if requested
if hasattr(self, "applicabilityDomain") and use_applicability_domain:
in_domain = self.applicabilityDomain.contains(
dataset.getFeatures(concat=True, ordered=True, refit_standardizer=False)
dataset.getFeatures(concat=True)
)
in_domain = self.handleInvalidsInPredictions(mols, in_domain, failed_mask)
return predictions, in_domain.values
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