Modules and the basic pipeline

What is a module?

Pharmaco-Net uses a unit of work called a module.
Each module has a different function.

How to connect modules

All modules are based on Drag & Drop.
Select the desired module from the list of modules on the right and drag it to the canvas on the left.
Use the circled dots on either side of the module box to connect the module to the module.
Clicking the circled dots displays the dots of the modules that can be connected to that module.

Pipelines

1. enter the code of your desired target protein or upload a protein file if you have one.
2. Browse the active site of the protein.
3. Select a ligand library to screen with the protein or upload a user library.
4. Run the screening.
5. Predict the binding affinity.
6. After prediction, analyze and visualize the interaction of the protein with the top candidates.
7. Predict the ADMET of the candidates.
8. Optimize the chemical structure of the candidates and rescreen the optimized candidates to check the improvement of binding affinity prediction.

Pipeline in Pharmaco-Net