Fig. 3

The schematic diagram of descriptor calculation from the interaction between two molecules with the same type. The calculation process for BioCCI, BioPPI and BioDDI is similar to each other. Firstly, the molecular structures or sequences of the associated chemicals, proteins, and DNAs/RNAs in the chemical-chemical, protein–protein, and DNA/RNA–DNA/RNA interaction networks are provided to calculate the corresponding molecular features. Secondly, the adjacency list file and the molecular features in the above step are provided to calculate the final interaction features