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. 2022 Aug 16;14(8):1710. doi: 10.3390/pharmaceutics14081710

Figure 5.

Figure 5

Examples of chemical structural formulas of drugs and proteins with attention weights in the integration dataset. The color bar on the right indicates the attention scores of ChemBERTa and ProtBert. In the amino acid sequence, only the chemical structural formula of the top three amino acids with the highest attention weights are shown, along with position information for readability. (a) Attention score of a protein paired with 5-benzylthiazol-2-amine (DTI prediction score: 0.7744); (b) Attention score of a protein paired with formyl-L-methionine (DTI prediction score: 0.7126).