66:
450:. Values in the infobox are compared with values reported in literature, and when the values match, the revision is stored in the index for chembox and the index for drugbox, respectively. This is typically done for values that are 'immutable' (e.g., the boiling point of a chemical compound: the boiling point of water under standard conditions is 99.98Β Β°C, and there is no plausible reason to suspect it will change).
553:
535:
632:) when the bot finds the field correct. The first parameter of the template is 'correct', or 'changed', and the box will show a tick or a cross accordingly on CASNo. The second parameter is a field that contains a reference for 'where' the parameter was verified. As we are at the moment verifying all fields against the CAS commonchemistry.org site, the bot replaces XXX with 'CAS' (i.e.,
610:
562:
544:
616:, then please check if the value is wrong (in which case, it can just be changed back to the value in the verified revision; the bot will do the rest), or if there is a mistake in the verified revision (if so, it may need an update of the index; if you need help with that, please ask the appropriate wikiproject).
1359:
and this does match. Given the difficulties of transposing a 3D structure to more conventional form it would probably be better to have a more conventional structure as well for compounds like this but I would suggest we avoid removing 3D structures providing it is possible to validate them. I will
1584:
The 677 "inorganics" (neutral compounds without CβC or CβH bonds) have now all been checked. 496 entries gave a perfect match, 74 entries had some sort of problem in the article (often minor and already fixed) and 100 entries had no appropriate corresponding article on
Knowledge. A full report will
1340:
I've rechecked
Dieldrin, adding the implicit hydrogens to the WP structure and drawing in chemsketch, I also copied the CAS structure exactly and had the program assign stereo labels. They match, which leads me to think my initial verify is OK. It maybe should be noted that while the carbon
656:
Our approach is to start by checking that the CAS registry number and the structure match with the name. This will be used as a foundation upon which we can build a broader validation effort. Once we have the structure verified, we have the formula, and hence the molar mass, and we can also
517:
as well as from lists supplied by (CAS number, ChemSpiderID, InChI, UNII, ChEMBL and ChEBI) or downloaded from these websites (KEGG, DrugBank). In the meantime, we are trying to add, update and/or check as a number of other identifiers (InChI, InChIKey) by comparison of the data with the
712:
will have one CAS# for the D form, another for L, another for "unspecified" and a fourth one for racemic. There would be another four CAS#s for the hydrochloride, four for the (1:1) sulfate, four for the (2:1)sulfate, etc. It is very important that we match the correct form CAS# to our
1378:
mean changing the structures in the chemboxes (our images for inorganics don't always give a clear idea of the structure), but we should insist on the chembox information being correct and not-misleading, and that the full details be available in the article (maybe in a separate image).
640:). When using another place to verify the CASNo, please adapt this parameter accordingly and will try to retain this field throughout. When there will be significantly more verifications against non-commonchemistry.org-places, I will instruct the bot to fill the field standard with
769:
1. the bot 'divides' the fields in two sets, watched and unwatched; all changes are reported, but the watched fields are the ones we really want to take care of, those are the fields that contain hardcore, verifiable data that are very unlikely to change (as the boiling point of
528:
is following changes to these articles, and is set up to update the infoboxes. When it detects changes to values, it will change parameters in the infobox accordingly. These parameters are used by the template to show what the status of the fields are in the box.
720:Β·Na, and organic salts follow a similar system. Do not use such formulae on WP, but they are not "wrong" since they are merely a representation, not a formal structure. This also results in incorrect MolarMass in the FW section of the SDF file for salts.
1341:
skeletons look to be the same projection, WP is from above and CAS (turns out to be) from below. If you are still unhappy could you describe your assignment in more detail? I'll try the chemsketch method with Endrin and hopefully we can compare notes
794:
When a 'better' version of a page comes up, change the number on the page. If there are two revids for the same page, it uses the one closest to the bottom of the index-page (the page gets parsed top to bottom, replacing values if duplicates
1533:
Both the WP page and the CAS are for unspecified stereoisomers however if we follow the naturally occurring rule, should the WP page be changed for the natural isomer and the unspecified CAS be relegated to an
1370:
on such compounds, we should explicitly show the stereochemistry of each chiral centre, which is not the case at present on Endrin and
Dieldrin (even if a knowledgeable chemist can figure out what it
1502:
1486:
252:
727:, which may be drawn very differently in WP than in Common Chemistry, I found it best to assign R/S for each center and compare that way. (And yes, Farseer drew bleomycin perfectly!)
346:
240:
1054:
This is very strange, it is trans,trans in the union file and cis,cis in the wikichem file (I have been using the union file to verify CAS numbers). I need to look into this.
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Be aware that CAS uses an unusual system for representing some formulae, which may seem "wrong" to us. These involve describing salts such as sodium nitrate as HNO
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1474:
1386:
131:
1494:
837:
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1333:-isomer (or vice versa, I never was very good at this particular bit of nomenclature! in any case, it's not the same compound!) We should recheck with
410:
1075:
One chiral center is not specified (should be up to match CAS). (probably a result of copying glucose skeleton, in which this atom is not chiral?).
351:
341:
666:
280:
581:
135:
1023:
WP says cis, cis, CAS says trans trans 'linoelaidic acid', the whole world says linoleic acid is 60-33-3 including the spreadsheet and sigma.
1450:
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1049:
975:
198:
1194:
823:
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1005:
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is added. This does not happen yet in the
Drugbox (there is no change at present), but we hope to enable a similar system there too, if
207:
1301:: The structure diagram has one carbon atom with two wedge bonds attached, making verification difficult (the stereochemistry should be
1264:: The structure diagram has one carbon atom with two wedge bonds attached, making verification difficult (the stereochemistry should be
1248:
1220:: The structure diagram has one carbon atom with two wedge bonds attached, making verification difficult (the stereochemistry should be
367:
317:
193:
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2. The bot regards an empty field as 'unknown'. It will report changes to this field, but will assign a lower 'warning level' to it.
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82:
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169:
23:
669:, we used an Excel file to validate the first 1000 entries from the CAS XML file. This is available to project members
427:
116:
396:
1395:
577:
960:
Yes, there are multiple forms (A, B, C, D, X) and several derivatives, but the difference is in the side chains.
423:
78:
17:
1639:
145:
993:
806:
691:
1579:
1355:
I have checked Endrin with the same process and it does not match. There is an older version of this image
619:
532:
Boxes that contain verified values that are the same as the values in the verified revision are tagged with
490:
957:
One chiral center seems to not match CAS. Are there multiple forms of this? Structure says
Kanamycin A.
689:
We are now beginning to work through the list of "problem articles" found by User:Beetstra, and listed at
377:
1356:
1277:
1574:
1616:
274:
1569:
1564:
1538:
1518:
943:
1620:
1478:
1082:. It is likely that both forms (alpha and beta-glucopyranoside) are described by this CAS number. --
372:
1424:: The structure diagram does not specify the stereochemistry at the two chiral centres (should be 2
1410:: The structure diagram does not specify the stereochemistry at the two chiral centres (should be 2
1311:: The structure diagram does not specify the stereochemistry at the two chiral centres (should be 2
938:
1441:
1129:
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are 'comments', they can be saved and appear in the editbox, but do not produce visible wikicode.
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One chiral center seems not to match, multiple forms? a-tocopherol, CAS just says tocopherol.
382:
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140:
1027:
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CheMoBot adds a template to a _Ref parameter (e.g. for CASNo, CASNo_Ref will be filled with
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45:
1230:: The structure diagram does not adequately specify the stereochemistry of the Corrin ring
8:
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568:. If the boxes contain changes to these verified fields, they are also categorized in
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57-94-3 and 57-95-4 Structure is messed up in union file. I can't make sense of it.
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1337:(CASRN ) as well. Neither compound has the stereochemistry correctly specified.
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at the bottom, and boxes where some of these values are changed are tagged with
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is dimer, CAS is monomer. Is this significant, will CAS have a dimer listed?
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1014:
815:
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525:
162:
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are used for each form of a substance. For example, something simple like
657:
generate other machine representations such as SMILES, InChI and InChIKey.
572:. Boxes that contain changes to other important fields are categorized in
1512:
1404:: Structure diagram shows free acid whereas CASRN is for tetrasodium salt
1401:
1286:
1227:
1083:
1204:
KEGG is marked as incorrect but is correct at current value of C19422.
1421:
1407:
1342:
1295:: old-style chembox; note that CASRN is for unspecified stereochemistry
1289:: still to be verified, the structure displays badly in ChemFileBrowser
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validated the inorganics separately, and these can be found in the
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This is a class article, I don't think there should be a chembox.
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734:") in a Chembox will receive a green tick (check mark) once
782:. N.B. the list of 'watched' fields may need to be updated
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Category:Chemboxes which contain changes to verified fields
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CAS is for open chain aldehyde form, is this significant?
684:
574:
Category:Chemboxes which contain changes to watched fields
804:
Please sign up to work on some of the articles listed at
1560:
Generic name is now DAB, both 2,2 and 2,3 have articles.
550:. Moreover, the individual identifiers are tagged with
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These will require special treatment: please contact
695:. A description of the process will be added soon.
1101:57-92-1 Seems to be mirror image of WP structure.
1631:
1147:, for which we don't seem to have an article.
935:Please note any "to be checked" entries here.
762:Check structure, CAS no., Formula, MolarMass.
673:, on the password-protected site. Meanwhile,
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1604:
931:Problems found when validating the Excel file
404:
1325:: The structure diagram appears to show the
430:are validating the content in the infoboxes
1601:
411:
397:
85:) is curating & validating content in
1460:: Structure needs to show stereochemistry
1274:: Structure needs to show stereochemistry
253:Pages with broken verification templates
922:set of bot-handled templates, used for
723:For complex chiral structures, such as
14:
1632:
1167:I don't think so, but we're checking.
1329:-isomer whereas the CASRN is for the
1236:: no chembox, and needs text cleanup
790:3. Things between <!-- and --: -->
1487:1-Methyl-3-nitro-1-nitrosoguanidine
1374:be from the diagram). That doesn't
30:
1645:Knowledge chemical data validation
1503:N,N'-Diphenyl-1,4-phenylenediamine
64:
31:
1656:
620:Verification β tagging references
1613:"The "Common Chemistry" website"
1396:Dichlorodiphenyldichloroethylene
1017:Parent ion, infobox not chembox.
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560:
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1206:http://www.kegg.jp/entry/C19422
667:IRC meeting on January 13, 2009
587:If you encounter a page with a
505:by comparison with the data on
18:Knowledge:WikiProject Chemicals
1006:04:28, 10 September 2009 (UTC)
996:shows the most common isomer.
141:Errors/actions flagged via SDF
13:
1:
1249:19:12, 11 February 2009 (UTC)
1120:No chembox and other issues.
1092:21:41, 15 November 2009 (UTC)
1064:12:47, 12 February 2009 (UTC)
1050:11:52, 10 February 2009 (UTC)
994:File:RRR alpha-tocopherol.png
976:11:48, 10 February 2009 (UTC)
894:07:12, 21 December 2016 (UTC)
880:07:12, 21 December 2016 (UTC)
866:07:12, 21 December 2016 (UTC)
852:07:12, 21 December 2016 (UTC)
838:17:57, 17 November 2009 (UTC)
807:User:Beetstra/CASFoundCorrect
692:User:Beetstra/CASFoundCorrect
1585:be available in due course.
1451:23:42, 9 February 2009 (UTC)
1387:23:23, 9 February 2009 (UTC)
1351:23:27, 6 February 2009 (UTC)
1195:22:35, 23 January 2009 (UTC)
1175:22:35, 23 January 2009 (UTC)
1155:20:19, 25 January 2009 (UTC)
1139:19:54, 24 January 2009 (UTC)
992:There are multiple isomers.
824:22:48, 3 November 2009 (UTC)
491:Unique Ingredient Identifier
385:tool for listing via CAS no.
368:Blog on starting the project
297:Structure validation project
241:Reactionbox, verified fields
7:
1547:CAS 77-02-1 is unspecified.
1278:Medroxyprogesterone acetate
810:. More information later.
778:, the number of carbons in
373:Tools for CAS No. checksums
246:Reactionbox, watched fields
146:PDF of errors found via SDF
10:
1661:
1617:Chemical Abstracts Service
35:
1479:Tetraethylammonium iodide
515:FDA'S UNII Search Service
383:Example of use of Magnus'
267:Discussions some Tuesdays
1558:only 2,2 has an article.
1224:here, and I think it is)
428:WikiProject Pharmacology
378:Blog list of SDF readers
229:Drugbox, verified fields
217:Chembox, verified fields
199:Validated drugbox Images
194:Validated chembox Images
117:WikiProject Pharmacology
1363:I suggest that for our
1239:I added a chembox. --
730:The CAS No. (that is, "
576:. For an example, see
234:Drugbox, watched fields
222:Chembox, watched fields
753:Fields to check/upload
648:or something similar.
69:
33:Knowledge project page
1640:WikiProject Chemicals
1491:Mercaptosuccinic acid
1483:Ethyl 3-bromopyruvate
1475:O-Methylhydroxylamine
1360:investigate further.
453:We are verifying the
424:WikiProject Chemicals
79:WikiProject Chemicals
68:
1615:. published by: the
1499:4-Chlorobenzoic acid
1495:p-Toluenesulfonamide
1471:3,5-Dimethylpyrazole
1398:: short-form chembox
1143:The CASRN refers to
774:, the CAS-number of
706:CAS Registry Numbers
128:Main validation page
1466:: old-style chembox
1282:Medroxyprogesterone
1073:Glucose 1-phosphate
732:CAS Registry Number
582:flagged by CheMoBot
489:ID (ChemSpiderID),
455:CAS Registry number
187:Validated drugboxes
182:Validated chemboxes
24:Knowledge:CHEMVALID
1597:for more details.
1552:2,3-Dimethylbutane
1525:Trimethylaluminium
1469:Missing articles:
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1589:Elements and ions
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1187:as per talk page
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22:(Redirected from
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1256:Sanger's reagent
1234:Ellman's reagent
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1145:Cephalosporin C
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1080:anomer
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