NAMS is a free Webtool to calculate similarity between molecules based on the structural/topological relationships of each atom towards all the others within a molecule. This functionality allows the calculation of similarity between 2 molecules using their name, SMILES or InChI and setting several parameters that will influence the atom/bond matching similarity score. Disconnected fragments will be separated in order to keep only the main structure and molecules with less than 3 atoms cannot be processed. It is also possible the calculation of different similarity functions based on Fingerprints. [More Info]

NEW: July 19, 2016: NAMS has been optimized and rewritten in C/C++ with several new functionalities. Also several tutorials for using the new NAMS version within R have been created. This new NAMS version is 50-100 times faster than the initial Python version and is the one that is going to be officially supported. This site will continue as a web based interface to the original program and providing direct comparison with other chemical similarity approaches, but will no longer be updated.

Enter 2 molecules

[Common name, SMILES or InChI] WARNING: CACTUS Identifier Resolver is currently DOWN, therefore it is not possible to use a compound name as identifier. Please use SMILES or InChI.


   
                        e.g. CC(=O)N[C@@H](CS)C(O)=O           InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)

Change Algorithm Parameters
Select other distance/similarity measures based on fingerprints