Fig. 4

The schematic diagram of descriptor calculation from the interaction between two molecules with the different types. The calculation process for BioCDI, BioCPI and BioDPI is similar to each other. Firstly, 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 molecular structures or sequences of another molecular object from interaction data are provided to calculate the corresponding molecular features. Thirdly, the adjacency list file and the molecular features in the above two steps are provided to calculate the final interaction features