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. 2022 Oct 27;3(12):100794. doi: 10.1016/j.xcrm.2022.100794

Figure 2.

Figure 2

A diagram illustrating three molecular representation approaches

Three molecular representation approaches include: (A) one-dimensional (1D) sequence-based representation; (B) graph-based representation; and (C) 3D representation for both small molecules and macromolecules (i.e., proteins). The value of contact map matrix is 1 if the distance is greater than a predetermined threshold, otherwise it is 0.