Fig. 9: Feature engineering and feature preselection procedures. | npj Computational Materials

Fig. 9: Feature engineering and feature preselection procedures.

From: Using statistical learning to predict interactions between single metal atoms and modified MgO(100) supports

Fig. 9: Feature engineering and feature preselection procedures.

Descriptor sets are indicated in orange boxes, feature engineering steps are indicated in green boxes, feature preselection steps are indicated in blue boxes, and the size of the feature space at each step is indicated in black text. There were seven and ten categorical descriptors for doped and adsorbate-modified MgO surfaces, respectively.

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