Molecular docking models

Molecular docking models specify binding energies for substances in specific molecular docking models related to a specific health effect (adverse outcome).

This module has as primary entities: Substances Effects

Output of this module is used by: Active substances

Molecular docking models as data

Binding energies for substances in specific molecular docking models related to a specific health effect (adverse outcome) are provided as data.

• Molecular docking models data formats
• Molecular docking models from data

Inputs used: AOP networks

Settings used

• Calculation Settings