Fig. 4: Schematic depiction of the “stack-and-pad” approach for the features extracted per whisky sample for each molecule detected.
From: Odor prediction of whiskies based on their molecular composition
The whisky samples are analyzed with sensory analytical approaches to identify the applicable descriptors and molecule SMILES. Using the MCS approach, features are extracted using the training and reference dataset. These features are stacked and zero padded to create a feature cube that is passed into the CNN along with the labels for training and the resulting top-5 descriptors are compared to their ground truths. Image created with biorender.com.
