CaliciBoost

CaliciBoost is an AI model that predicts the Caco-2 permeability of compounds.
It is designed to rapidly assess the intestinal epithelial permeability and oral absorption potential of candidate compounds.
This high-performance model ranked first on the TDC Caco-2 leaderboard.

Predecessor Modules

• Upload SMILEs
• AI-Dock (Plus)
• DeepCalici (Plus)

Input Parameters

Select Ligands

On the input data page, you can select the ligands to be used for Caco-2 permeability prediction.
- Upper list: Displays ligands you have uploaded or those generated through AI-Dock (Plus) or DeepCalici (Plus) analysis.
- Lower list: Displays the ligands selected for analysis in the next step.
You can select ligands from the upper list and add them to the lower list. You may add all ligands at once or select and add only specific ligands.

① Add all ligands at once

• Upload SMILEs
  
• AI-Dock (Plus), DeepCalici (Plus)
  

② Create and add a new ligand

③ Modify and add an existing ligand

Module running screen

Progress messages

Module completed

Result screen