Table 1 Descriptors of MOFs as properties used in CSD MOFs Dataset. It consists of MOFs’ structure and metal information
MOFs properties | Description |
|---|---|
SMILES | String notation for representing the organic ligands present in the MOF |
Atomic number | Metal ion information in the form of numerical values |
Atomic weight | |
Atomic radius | |
Mulliken electronegativity | |
Polarizability | |
Electron affinity | |
Pore limiting diameter (PLD) | Porosity information is used to define guest accessibility |