Is your feature request related to a problem? Please describe.
No.
Describe the solution you'd like
Right now, it looks like rdkit-js only have the ability to do the Substructure Search.
However, we need to have Tanimoto Similarity search. For example:
You send a smiles string/or rdkit.get_mol(smiles string) + the similarity level (like 80% or any similarity level you want), then the code will search through an array of smiles just like what Substructure Search did. Then the function will tell if it can reach the similarity level of not.
Describe alternatives you've considered
I reviewed the source code of RDKIT. It looks the function is already there: DataStructs.TanimotoSimilarity.
Will you be able to migrate the function and put it in the rdkit-js?
Additional context
None.
Is your feature request related to a problem? Please describe.
No.
Describe the solution you'd like
Right now, it looks like rdkit-js only have the ability to do the Substructure Search.
However, we need to have Tanimoto Similarity search. For example:
You send a smiles string/or rdkit.get_mol(smiles string) + the similarity level (like 80% or any similarity level you want), then the code will search through an array of smiles just like what Substructure Search did. Then the function will tell if it can reach the similarity level of not.
Describe alternatives you've considered
I reviewed the source code of RDKIT. It looks the function is already there: DataStructs.TanimotoSimilarity.
Will you be able to migrate the function and put it in the rdkit-js?
Additional context
None.