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It is non-trivial. Try looking here https://gdb.unibe.ch/downloads/ to see
just how big chemical space is.
…On Thu, Jun 8, 2023 at 8:46 AM ccbiozhaw ***@***.***> wrote:
title says it all. could i input a formula like
"C10H4N3O8", then get all possible smiles that satisfy this formula?
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my molecules are larger. however i can already narrow them down to a specific formula. i just need the possible compounds from that |
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But if you poke about on that website you will be able to pick up
information about how you might go about it. I offered that link as a way
into the research area, not the final answer.
…On Thu, Jun 8, 2023 at 9:23 AM ccbiozhaw ***@***.***> wrote:
my molecules are larger. however i can already narrow them down to a
specific formula. i just need the possible compounds from that
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title says it all. could i input a formula like
"C10H4N3O8", then get all possible smiles that satisfy this formula?
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