Fig. 2
a Interaction fingerprint pattern (IFP) generation. The interaction information (seven type) for each amino acid was extracted and interaction types from the same amino acid was concatenation in a matrix with a fixed size of 140. Similarly, the observed interaction distances were measured. b The ligand fragmentation pattern (FG1, FG2, …, FGN) for the input ligand, which corresponds to atoms sequence and augmented atoms were calculated. (Refer feature constructions in Additional file 1 for detailed information)