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ChEMBL conflicting single bond directions #6

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ikmckenz opened this issue Jul 21, 2019 · 0 comments
Open

ChEMBL conflicting single bond directions #6

ikmckenz opened this issue Jul 21, 2019 · 0 comments
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bug Something isn't working features Related to feature generation

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@ikmckenz
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ikmckenz commented Jul 21, 2019 •
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When we moved to ChEMBL 25, we now have some warning messages when creating features.

[19:09:09] Conflicting single bond directions around double bond at index 5.
[19:09:09]   BondStereo set to STEREONONE and single bond directions set to NONE.

Should investigate these and perhaps set our feature generation to remove data that causes warnings.
@ikmckenz ikmckenz added bug Something isn't working features Related to feature generation labels Jul 27, 2019
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