Is there a way to convert SMILES to either chemical name or IUPAC name using RDKit or other python modules? I couldn't find something very helpful in other posts. Thank you very much!

I have a dataset of molecules represented with SMILES strings. I was trying to represent this as graphs. Is there a way to do so? For instance, let's say I have string CC(C)(C)c1ccc2occ(CC(=O)Nc3cc...

I was just wondering, is there any way to convert IUPAC or common molecular names to SMILES? I want to do this without having to manually convert every single one utilizing online systems. Any inpu...

Rather than crawl PubChem's website, I'd prefer to be nice and generate the images locally from the PubChem ftp site: ftp://ftp.ncbi.nih.gov/pubchem/specifications/ The only problem is that I'm ...

I'm using RDKit and trying to check molecules for exact match. After using Chem.MolFromSmiles() the expression m == p apparently doesn't lead to the desired result. Of course, I can check whether p...

Is there a method or package that converts a graph (or adjacency matrix) into a SMILES string? For instance, I know the atoms are [6 6 7 6 6 6 6 8] ([C C N C C C C O]), and the adjacency matrix is ...