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. 2023 May 5;24(9):8326. doi: 10.3390/ijms24098326

Table 9.

The node features for a drug motif-level graph.

Feature Name Dimension
Atomic symbols contained in the motif 44
Number of atoms in the motif 11
Number of edges connecting to other motifs 11
Total number of hydrogen atoms connected by motif (implicit & explicit) 12
Implicit valence of motif 12
Whether the motif is a simple ring 1
Whether the motif is chemically bonded or not 1