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. Author manuscript; available in PMC: 2021 Sep 1.
Published in final edited form as: Mach Learn Sci Technol. 2021 May 13;2(3):035015. doi: 10.1088/2632-2153/abe6d6

Figure 5.

Figure 5.

Web server workflow. User can upload either a PDB ID or a PDB file in the web server. FPocket is used to detect pockets. For each pocket, physical properties are calculated and predicted using a pretrained XGBoost model; while an atomic graph is constructed and fed into a pretrained GCNN model. The final probability is given by averaging results from both models.