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. Author manuscript; available in PMC: 2024 Jan 15.
Published in final edited form as: Curr Protoc. 2022 Jan;2(1):e355. doi: 10.1002/cpz1.355

Figure 82.

Figure 82.

Redial interface provides a summary of the models, such as model type, which descriptor categories were used for training and the evaluation scores. The user interface further depicts the processes of cleaning the chemical structures (encoded as SMILES) before training the machine learning models.