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Flag molecules with possibly problematic tautomers (and investigate tautomers for them)? #29

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davidlmobley opened this issue Jan 30, 2017 · 0 comments
Open

Flag molecules with possibly problematic tautomers (and investigate tautomers for them)? #29

davidlmobley opened this issue Jan 30, 2017 · 0 comments

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@davidlmobley
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OpenEye suggested a solution to flag molecules which potentially have multiple relevant tautomers. We ought to do this, or something similar, and at least flag such molecules, or possibly investigate them further via alternate tools such as Epik.

https://www.evernote.com/l/ABpN_7k6J4hPG4Ye4o06M7RKtc_ad4YKHJE
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