Besides the structural visualization for the fingerprint bit, the associated feature importance and feature partial derivative are also very useful information. The feature importance emphasizes the importance of each bit contributing to the bitter/bitterless classification, and the feature partial derivative of each bit stresses the positive or negative influence of each bit on the bitterness of the compound. Hence, the fingerprint bit “1,” its corresponding structural feature, feature importance, and feature partial derivative are closely interconnected and can be interactively visualized in our e-Bitter program. This interactive and synchronization function can be well depicted by Figure S14.