I found that OpenBabel can convert .xyz files to SMILES strings, which means that it must be using some sort of heuristic to determine the connectivity of a molecule based on distances and nuclear charges.
I've been trying to find references to the specific algorithm implemented but I couldn't find anything, and I haven't been able to find the code that does this conversion in github (probably because I'm not too familiar with the repo, It should be there somewhere right?). I was wondering if someone could point me in the right direction regarding this, since its a very useful feature I would like to use, and I would like to be more familiar with its inner workings to check how reliable/robust it is, and what approximations its making. Best, Ignacio
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