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uspto_mixed dataset #37

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feiyang-cai opened this issue Aug 30, 2024 · 0 comments
Open

uspto_mixed dataset #37

feiyang-cai opened this issue Aug 30, 2024 · 0 comments

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@feiyang-cai
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Hi,

Thanks for your nice work!

I noticed that some of the reactions with multi-products are simplified to single-product reaction, which is not consistent with the original mit dataset.

For example, in one of the reactions in the test,
original products CC(c1cccc(N)c1)S(=O)(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC are simplified to CC(c1cccc(N)c1)S(=O)(=O)[O-].

Actually, there is in total of 903 reactions simplified.

I am wondering if there is any reason to simplify it.

Thanks!

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