fix bug with features unordered and standardizer refit for applicabil…

…ity domain
CDDLeiden · Mar 10, 2024 · 79a4c24 · 79a4c24
1 parent c2c68b1
commit 79a4c24
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/qsprpred/models/models.py b/qsprpred/models/models.py
@@ -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)
+                dataset.getFeatures(concat=True, ordered=True, refit_standardizer=False)
             )
             in_domain = self.handleInvalidsInPredictions(mols, in_domain, failed_mask)
             return predictions, in_domain.values