On 2 Dec 2019, at 13:17, Greg Landrum <greg.land...@gmail.com<mailto:greg.land...@gmail.com>> wrote:
Hi Peter, On Mon, Dec 2, 2019 at 10:11 AM Peter Schmidtke <peter.schmid...@discngine.com<mailto:peter.schmid...@discngine.com>> wrote: I have a question regarding the underlying molecular representation used in the rdkit cartridge for postgresql. I didn't dig yet too much into the underlying source code of the cartridge. Is it a normal rdkit like molecule used to store molecules? Yes, the internal representation is currently the usual RDKit serialized molecule. Ok that’s fine then. What I want to make sure especially that it's not stored as smiles string! Not currently. Why are you concerned about this? Just I saw smiles printed in pgAdmin’s table representation … would like to avoid issues with stereo handling especially Peter -greg
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