Fig. 2: Stages of AI-based ISM discovery. The main descriptors should be selected from the raw datasets.
From: Materials discovery of ion-selective membranes using artificial intelligence
This step is performed using feature engineering. Data screening, determination of input, output and, communicated descriptors are done in this step. After that, AI can train models that can predict the performance of different ISMs. The accuracy and reliability of the model are crucially dependent on feature engineering.
