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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 1.

Figure 1.

Architecture of 1-layer GCNN model. 1-layer GCNN is composed of a graph convolution layer, a readout layer and a linear classification layer. Rectified linear unit is used as the activation function. An atomic graph is constructed for a given pocket and GCNN predicts the probability of this pocket being an allosteric site.