Figure 3.

A computational workflow for network-based TCM study. This workflow has three parts in general. The part of collection includes data extraction from various sources, chemical and biological structures from databases, and the construction of biological network. In the simulation part, different methods like docking and ODE-based simulation are applied to study the interaction of herb and biological network. Finally, in the evaluation part, we use wet experiments to verify the computational prediction and iteratively design new formulas based on dry and wet experiments.