Flavor sensation is a complex phenomenon in which concentration, prior perceptions, cultural and immediate context, individual physiology, the combination of various tastants, as well as other sensations such as smell or texture play an important role . Determining the taste of even a single molecule in isolation remains a time-and labor-intensive process involving human panelists or electronic tongues . Computational tools capable of predicting the taste of a molecule in silico could meaningfully accelerate this task and assist in the discovery of novel tastants.