Below you'll find descriptions of the various queries available on MOFSearch. Try out the Examples to see how they work.Select your structure type then write your query in structure query.

Structure TypeDescription
Metal Metal centre SBU
Example: Cu, V, Zn, etc
Functional group Functional group on organic SBU
Example: Cl, Br, F, CH3, etc
Inorganic SBU Inorganic Secondary Building Units
Example: V2O2, Zn4O, Cu2, etc
Organic SBU Base(core) organic Secondary Building Units
Example: Benzene, Biphenyl, p-terphenyl, etc
General One or more query types
Example: Cl, Biphenyl, Cu, etc
Mof Property

Combine any number of mof properties, to narrow down your results. you can filter your results by Adsorption Properties and Geometric Features.

Working Capcity(mmol/g) Description: Difference CO2 uptake(mmol/g) at 1 & 0.1 bar
Selectivity (CO2/CH4) Description: Selectivity of CO2 over CH4 with 10:90 composition at 10 bar
Void Fraction, Pore Diameter, Surface Area Description: Geometric Features calculated by Helium as a probe.
You can sort your result by selectivity, working capacity and CO2 uptake. the default is selectivity.
Search For Organic SBUs in MOFs

You can do Exact, substructure, and similarity search for Organic Secondry bulding units in MOFs via SMILES. The default is substructure search. These searches are powered by the BINGO cartridge from GGA. To do your search, go as fallows:

1- Click on the Sketch; to see the ketcher
2- Draw your query Organic SBUs on the ketcher
3- Click on the Done to get your smiles on the box
For Similarity search

There are two options that you can select for your similarity search; Similarity metrics and Similarity Cut_Off.

Similarity metrics:
Tanimoto:c/(a+b-c)

Tversky:c/(0.9*(a-c)+0.1*(b-c)+c)

Euclidean:c/a

where

  • a is the count of bits in the fingerprint of the query
  • b is the count of bits in the fingerprint of the target
  • c is the count of coincident bits in the fingerprints
Similarity Cut_Off:

It is advisable that you start your search

with a reasonably high similarity value (90%)

then try different levels of similarity to give you a useful number of hits.


You can combine Search For Organic SBUs with MOF properties and Structure Type to find best candidate for your application.

On the result page you can click on the MOF name(BLUE box) to see the MOF structure and get more infomation.For this you dont need to use Java.

You can play with the structure. The box in MOF structure is unit cell.

Result PageMOF Structure