Update NaToxAq #50
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Update NaToxAq #50
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schymane
reviewed
Mar 1, 2019
| @@ -4,12 +4,11 @@ DATE: 2019.02.28 | |||
| AUTHORS: Tobias Schulze, Jawameer Hama, Hubert Schupke, Martin Krauss, Helmholtz Centre for Environmental Research GmbH - UFZ, Leipzig, Germany and University of Copenhagen (UCPH), Denmark | |||
| LICENSE: CC BY | |||
| COPYRIGHT: Copyright (C) 2019 | |||
| PUBLICATION: | |||
| COMMENT: CONFIDENCE Reference Standard (Level 1) | |||
| COMMENT: INTERNAL_ID 3 | |||
| CH$NAME: Angustifoline | |||
| CH$NAME: VTIPIBIDDZPDAV-IFWUJCSASA-N | |||
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There are also InChIKeys as names ... the infolist should have been checked before processing!
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I have to think about a way to treat this in the data repo... I'll put it on the wish list.
schymane
reviewed
Mar 1, 2019
| @@ -4,12 +4,11 @@ DATE: 2019.02.28 | |||
| AUTHORS: Tobias Schulze, Jawameer Hama, Hubert Schupke, Martin Krauss, Helmholtz Centre for Environmental Research GmbH - UFZ, Leipzig, Germany and University of Copenhagen (UCPH), Denmark | |||
| LICENSE: CC BY | |||
| COPYRIGHT: Copyright (C) 2019 | |||
| PUBLICATION: | |||
| COMMENT: CONFIDENCE Reference Standard (Level 1) | |||
| COMMENT: INTERNAL_ID 14 | |||
| CH$NAME: Gramine | |||
| CH$NAME: Gramine | |||
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Thats a good spot. I will put this on the wish list for the validator.
schymane
reviewed
Mar 1, 2019
| @@ -4,12 +4,11 @@ DATE: 2019.02.28 | |||
| AUTHORS: Tobias Schulze, Jawameer Hama, Hubert Schupke, Martin Krauss, Helmholtz Centre for Environmental Research GmbH - UFZ, Leipzig, Germany and University of Copenhagen (UCPH), Denmark | |||
| LICENSE: CC BY | |||
| COPYRIGHT: Copyright (C) 2019 | |||
| PUBLICATION: | |||
| COMMENT: CONFIDENCE Reference Standard (Level 1) | |||
| COMMENT: INTERNAL_ID 18 | |||
| CH$NAME: Angustifoline | |||
| CH$NAME: VTIPIBIDDZPDAV-IFWUJCSASA-N | |||
Closed
schymane
reviewed
Mar 1, 2019
| @@ -4,12 +4,11 @@ DATE: 2019.02.28 | |||
| AUTHORS: Tobias Schulze, Jawameer Hama, Hubert Schupke, Martin Krauss, Helmholtz Centre for Environmental Research GmbH - UFZ, Leipzig, Germany and University of Copenhagen (UCPH), Denmark | |||
| LICENSE: CC BY | |||
| COPYRIGHT: Copyright (C) 2019 | |||
| PUBLICATION: | |||
| COMMENT: CONFIDENCE Reference Standard (Level 1) | |||
| COMMENT: INTERNAL_ID 108 | |||
| CH$NAME: Senkirkine | |||
| CH$NAME: HPDHKHMHQGCNPE-UVSYKHRQSA-N | |||
schymane
reviewed
Mar 1, 2019
| @@ -4,12 +4,11 @@ DATE: 2019.02.28 | |||
| AUTHORS: Tobias Schulze, Jawameer Hama, Hubert Schupke, Martin Krauss, Helmholtz Centre for Environmental Research GmbH - UFZ, Leipzig, Germany and University of Copenhagen (UCPH), Denmark | |||
| LICENSE: CC BY | |||
| COPYRIGHT: Copyright (C) 2019 | |||
| PUBLICATION: | |||
| COMMENT: CONFIDENCE Reference Standard (Level 1) | |||
| COMMENT: INTERNAL_ID 109 | |||
| CH$NAME: Jacobine N-oxide | |||
| CH$NAME: NKRQJWQYBNTAEV-SAJQNFQWSA-N | |||
schymane
reviewed
Mar 1, 2019
| @@ -4,12 +4,11 @@ DATE: 2019.02.28 | |||
| AUTHORS: Tobias Schulze, Jawameer Hama, Hubert Schupke, Martin Krauss, Helmholtz Centre for Environmental Research GmbH - UFZ, Leipzig, Germany and University of Copenhagen (UCPH), Denmark | |||
| LICENSE: CC BY | |||
| COPYRIGHT: Copyright (C) 2019 | |||
| PUBLICATION: | |||
| COMMENT: CONFIDENCE Reference Standard (Level 1) | |||
| COMMENT: INTERNAL_ID 110 | |||
| CH$NAME: Heliotrine | |||
| CH$NAME: Heliotrine | |||
schymane
reviewed
Mar 1, 2019
| @@ -4,12 +4,11 @@ DATE: 2019.02.28 | |||
| AUTHORS: Tobias Schulze, Jawameer Hama, Hubert Schupke, Martin Krauss, Helmholtz Centre for Environmental Research GmbH - UFZ, Leipzig, Germany and University of Copenhagen (UCPH), Denmark | |||
| LICENSE: CC BY | |||
| COPYRIGHT: Copyright (C) 2019 | |||
| PUBLICATION: | |||
| COMMENT: CONFIDENCE Reference Standard (Level 1) | |||
| COMMENT: INTERNAL_ID 111 | |||
| CH$NAME: Monocrotaline | |||
| CH$NAME: Monocrotaline | |||
schymane
reviewed
Mar 1, 2019
| @@ -4,12 +4,11 @@ DATE: 2019.02.28 | |||
| AUTHORS: Tobias Schulze, Jawameer Hama, Hubert Schupke, Martin Krauss, Helmholtz Centre for Environmental Research GmbH - UFZ, Leipzig, Germany and University of Copenhagen (UCPH), Denmark | |||
| LICENSE: CC BY | |||
| COPYRIGHT: Copyright (C) 2019 | |||
| PUBLICATION: | |||
| COMMENT: CONFIDENCE Reference Standard (Level 1) | |||
| COMMENT: INTERNAL_ID 113 | |||
| CH$NAME: Monocrotaline N-oxide | |||
| CH$NAME: LHVAZUAALQTANZ-ANYXPJNNSA-N | |||
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InChIKeys are a very specific pattern with the 3 blocks of fixed character numbers separated by the dashes – hopefully it’s easy to flag because this is not a format that “normal” names would ever take, especially the last block being only one character (usually the dashes come at the beginning and precede a longer text-based name – and the dashes often separate numbers from letters in names). I’d do a specific character and dash count and if it exactly fits an InChIKey pattern, flag the name for removal. It should, theoretically, also match with the InChIKey entry and if not – well that’s an interesting flag that something went wrong somewhere ;-)
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