Representing Molecules

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Anonymous (not verified)
Representing Molecules
There are many different ways of representing molecular data (InChi, SMILES, CAS, mol, xyz, pdb, etc.). Which situation suites each data type the best (e.g. .pdb for protein data storage, InChi for database representation)? Which one do you prefer and why?
Alex Williams (not verified)
For readability, I don't think you can outdo smiles. However if I want to send someone a molecule, I usually go for an InchI Key.
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