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. 2022 Feb 7;18(4):939–941. doi: 10.1080/15548627.2022.2031382

Figure 1.

Figure 1.

A summary of the workflow. The workflow comprises chemical structure nomination, pre-training model set-up, virtual screening, top scoring compound selection, and biological evaluation in vitro and in vivo. “#” denotes the numbers of compounds left in each step.