712:
942:
412:
crowdsourcing support 4) Online deposition of multiple forms of analytical data associated with a structure (NMR, MS, IR, raman...) 5) Online deposition of single structures, batches of structures and structure-property pairs to support Open notebook
Science 6) Integrated text searching of Open Access literature 7) Largest online set of 3D optimized chemical structures as of today (
959:. However, the image is currently not used in any articles on Knowledge (XXG). If the image was previously in an article, please go to the article and see why it was removed. You may add it back if you think that that will be useful. However, please note that images for which a replacement could be created are not acceptable for use on Knowledge (XXG) (see
794:
166:
Ed, thanks for the invitation to add/change the content at the ChemSpider page. I saw the early conversations regarding the ChemSpider post so have not made any edits. I did see that there was a need for references so I assumed that posting the reference would be acceptable and am glad to see that it
87:
I am going through ALL drugs and have spent about 50 hours so far looking at them. I don't know how you derived your molecular formula but there are a number of incorrect ones in there and the systematic names are sometimes right and sometimes wrong. I've got to go through a second time as during the
549:
Hi Antony. I see you've been checking the stereochemistry on the cephalosporin structures, and assigning proper IUPAC names for them. The thing is, I personally checked each of them and the structures actually do appear to match the stereochemistry, at least using the ACD name generator—am I missing
330:
might be a good illustration to use. I realize that
Knowledge (XXG) can't serve as a user guide, but a dry listing of all the chemical databases available doesn't give our reader much insight for what's really happening. Does someone learn a lot by searching for 'santalol' in ChemSpider? How does it
866:
a couple of years back. Could you explain how you arrived at "3-phenol"? To me the "1-amino-1-methylethyl" part does not make sense, as there is no ethyl chain in the molecule and a "1-methylethyl" would acutally be a propyl, right? What the molecule does have, though, is a methyl group substituted
205:
Some remarks, try to avoid inline external links, that is frowned upon (though not strictly forbidden), but people will get there via the 'official homepage' link when they need it, such inline links may seem 'promotional'. Secondly, please format wikilinks within two square brackets (but I guess
150:
rules to you. There is no problem in having you add references to the ChemSpider page, because it is harmless to add references. If you have ideas for substantive improvement of the article text, mentioning that on the article's Talk page would be good. I would personally like to see a brief, but
407:
Ed..in terms of a comparison with other databases I will consider for example a comparison with eMolecules, PubChem, ChEBI, DTP, DSSTox, NCI etc..I can provide links if you need them. I won't compare with
Knowledge (XXG) right now since all the others are not encyclopedias while WP is yet all the
646:
I'm aware of FreeBase but have not done any work with it. There are enough distractions and work with just
Knowledge (XXG) curation :-) Knowledge (XXG) curation isn't finished yet and it's been 9 months...very active discussions, a lot of work for the entire team and more records streaming in of
411:
1) Largest number of unique structures online (I think) until we handed the dataset to PubChem to deposit. 2) Online predictions for PhysChem properties, converting names to structures, converting formats such as InChI/SMILES etc. 3) Online curation of names, identifiers to purify the data with
284:
Thanks for fixing the IUPAC name. When the structure is a bridged-cyclic, I have no clue on how to do the IUPAC. My only option is to copy it from Merck. It does not surprise me that since my 9th ed. of Merck, the naming convention might have changed a bit. You might check to make sure that its
408:
others are chemically intelligent informatics solutions (structure searching etc.). So, with that in mind I'll list unique capabilities/status. Maybe useful? There are individual components of this list available on different sites but no such aggregate elsewhere that I am aware of.
388:
Not sure how the
Quesnoin entry compares to what is available from others. I'm wondering how to fill in a table that tries to compare the offerings of the different chemical databases. (ChemSpider can offer spectra in some cases, which is useful). In a comment
193:
Applied some changes. Can the current main-space article be copied to a sandbox, where you can work on it together with other editors, and then another, uninvolved editor can copy it over the mainspace article later when deemed OK? For example here:
151:
clear explanation of exactly how ChemSpider is used, since what we have now is more like a laundry list of databases than a definite story. The idea of ChemSpider seems ambitious, but exactly what you can do with it is not yet clear to me.
167:
is. Based on our conversation today I would like to suggest some new content for someone else to review and extract for as appropriate to add to the detail regarding ChemSpider. This is a start below but I welcome any additional thoughts.
580:
I posted a talk item to this given your post, but it is really quite general to Wiki chemistry. Not sure where to take this. Hope you don't mind my post, and please tell me if I'm totally off my rocker. bejm at eeg dot ccf dot org
902:. It has the authority to enact binding solutions for disputes between editors, primarily related to serious behavioural issues that the community has been unable to resolve. This includes the ability to impose
491:
Yes I am very happy to help with this..let me know how you see this working, I have not been involved with the organics. I will go and have a look at your web site as it is not one I have had occasion to use.
724:
herever you are, and whether you're celebrating something or not, there is always a reason to spread the holiday spirit! So, may you have a great day, and may all your wishes be fulfilled in 2009!
357:. Scroll to the bottom. This is value added on top of the structure record itself. ChemSpider is fast becoming a place for people to find structures for validation and their are efforts made
550:
something? Thank you again for your massive curation efforts, and please know that I, for one, am wholeheartedly committed to making sure each and every one of my structures is accurate :)
571:
I hadn't checked my User Talk for a long time and just saw this.It's a couple of months ago so are there particular structures you want to point me to and I can review and comment? Thanks
53:
I've gone through all the pages that you noted had chemistry errors, and I have fixed them. I think I've got it all right, but can you double check? Thanks for catching the errors. --
72:
Yeah, that was me. Sorry about those, I'll go through and fix as many as I can (I don't have much time) but thanks alot both for pointing them out and for fixing some of em. --
600:
Hi, I saw mention that you'd put together a PowerPoint about structure searching on
Knowledge (XXG). Could you email me a copy? I'd love to know more about it. Thanks. --
452:
from April 30, 2007. Can you comment on whether the stated issue about a possible error in the ChemSpider information regarding calcium carbonate has been resolved? Thanks,
828:
265:
yes, I read the paper on their latest release when I was preparing a review article on Public
Chemistry Databases. It's a good database..they do a great job.--
867:
with an amino group that in turn carries two more methyl groups. Therefore the original IUPAC name "3-phenol" seems much more plausible to me. Best regards,
833:
to see why this is (you may have to search for the title of the image to find its entry), if you are interested in it/them not being deleted. Thank you.
751:
Is this a combination of my
Christmas greeting from 2006 and my New Year's greeting from last year? Why, it most certainly is! Hey, if it ain't broke...
248:
138:
Hello ChemSpiderMan. Thanks for your effort at curating some of
Knowledge (XXG)'s chemistry info. If you have any opinions on how we might improve the
393:
you mention writing a review article. Maybe as part of that review you are collecting some info we could present here in a table in
Knowledge (XXG).
971:
801:, which may involve one or more orphaned chemical structures, that has you user name in the upload history. Please feel free to add your comments.
682:
117:
362:
927:
420:). I don't think a lot of these fit into an encyclopedic article but I hope I am giving "distinguishing features" that might be of use? --
413:
734:
560:
380:
35:
331:
compare with what they could find out from other databases? Does ChemSpider tell you more than the Merck Index would? What about the
798:
511:
I don't get asked for a password anymore, but now I get a "file not found" error for the files containing structures 51 to 150. --
417:
923:
358:
824:
298:
955:. The image description page currently specifies that the image is non-free and may only be used on Knowledge (XXG) under a
289:
as well. BTW I will be adding to these stubs this weekend with a sentence or two about the various stereo-isomers of these.
960:
674:
739:
628:
914:
describes the Committee's roles and responsibilities in greater detail. If you wish to participate, you are welcome to
919:
636:
627:? Following the CAS number and ChemSpider curation discussion I was wondering how up-to-date freebase is. I left two
332:
199:
195:
647:
course. When the curation is completed I am all for depositing the data on Freebase and proliferating the data. --
146:. I have not noticed much commentary on the Talk page in the last few months. People have probably mentioned the
872:
711:
838:
730:
556:
31:
368:
688:
Thank you for your cooperation. NOTE: once you correct this, please remove the tag from the image's page.
632:
111:
915:
868:
951:
678:
669:
414:
http://www.chemspider.com/blog/millions-of-pre-optimized-3d-structures-now-deposited-on-chemspider.html
773:
in its structure... it misses a carbon (and 2 hydrogens) that should link carbon 3 to the acid group.
497:
457:
398:
340:
207:
156:
891:
882:
467:
The bug in the beta release was fixed within about 3 days as I recall . You can see the information
863:
88:
process I have learned things I need to reapply back at the beginning so expect to see more edits--
911:
895:
582:
771:
725:
648:
551:
527:
472:
421:
372:
350:
309:
294:
266:
256:
229:
176:
89:
73:
58:
26:
416:) 8) Web services to allow integration to third parties for searching, format conversion etc. (
353:. I am taking you directly to the spectral data for cocaine. Another example might be Quesnoin
778:
767:
586:
418:
http://www.chemspider.com/blog/new-web-services-demo-pages-and-visual-studio-example-code.html
907:
899:
681:
and edit it to include a fair use rationale. If you have any questions, please post them at
468:
693:
910:, editing restrictions, and other measures needed to maintain our editing environment. The
903:
620:
147:
979:
846:
493:
453:
394:
336:
152:
143:
956:
862:
Hi there, sorry if I'm digging up old stuff, but I noticed you changed the IUPAC name of
803:
631:
clarifying the CAS number issue and recommended adding more identifiers. Any comments?
605:
516:
22:
327:
290:
286:
252:
212:
121:
54:
774:
354:
349:
I think a better example of "learning a lot" can come from, for example, cocaine...
689:
225:
172:
120:, may I invite you to help discuss the different parts of the box? Thanks. --
975:
842:
323:
139:
131:
983:
931:
876:
850:
813:
782:
697:
677:, but there is no explanation of why it meets those criteria. Please go to
656:
640:
609:
601:
590:
565:
535:
520:
512:
501:
480:
461:
429:
402:
344:
317:
302:
274:
260:
237:
217:
184:
160:
124:
97:
82:
62:
40:
819:
All files in category Unclassified Chemical Structures listed for deletion
823:
One or more of the files that you uploaded or altered has been listed at
898:
is the panel of editors responsible for conducting the Knowledge (XXG)
624:
703:
And now, for Fvasconcellos' traditional nonsectarian holiday greeting!
449:
326:
article, and this problem with clarifying the correct terminology for
764:
21:
Welcome to Knowledge (XXG) :) Thank you for your correction over at
308:
I posted a name for beta-santalol for you...please check. Thanks--
940:
673:. You've indicated that the image meets Knowledge (XXG)'s
702:
361:
and then migrate it back to Knowledge (XXG). This is an
322:
Hello Antony. I'm still thinking how best to expand the
25:. I look forward to more of your contributions. Best,
970:will be deleted after seven days, as described in
175:for comments based on Beetstra's comments below.--
890:You appear to be eligible to vote in the current
206:you wrote this 'off site'). Hope this helps. --
797:A deletion discussion has just been created at
972:section F5 of the criteria for speedy deletion
966:Note that any non-free images not used in any
799:Category talk:Unclassified Chemical Structures
142:article itself, feel free to suggest ideas at
487:Verification of structures of organometallics
365:but might help in explaining how it is used?
8:
937:Orphaned non-free image File:Simbiosys.png
746:
706:
663:Fair use rationale for Image:Simbiosys.png
107:Hi, I have started a bit of a workshop on
683:Knowledge (XXG):Media copyright questions
596:Structure searching on Knowledge (XXG)
526:Another edit made.....try again now --
7:
825:Knowledge (XXG):Files for deletion
224:The article is now in the sandbox
14:
916:review the candidates' statements
770:doesn't match the article source
792:
710:
922:. For the Election committee,
892:Arbitration Committee election
883:ArbCom elections are now open!
858:O-Desmethyltramadol IUPAC name
247:FYI, you may be interested in
1:
984:18:53, 14 February 2020 (UTC)
961:our policy for non-free media
932:13:40, 24 November 2015 (UTC)
851:17:44, 28 November 2011 (UTC)
740:14:26, 24 December 2008 (UTC)
675:criteria for non-free content
390:
196:User:ChemSpiderMan/ChemSpider
83:18:28, 20 December 2007 (UTC)
63:15:23, 18 December 2007 (UTC)
41:19:29, 15 December 2007 (UTC)
749:
718:
698:03:30, 13 October 2008 (UTC)
536:01:21, 7 February 2008 (UTC)
521:15:23, 6 February 2008 (UTC)
502:17:32, 25 January 2008 (UTC)
481:20:42, 24 January 2008 (UTC)
462:20:34, 24 January 2008 (UTC)
430:06:57, 25 January 2008 (UTC)
403:03:51, 25 January 2008 (UTC)
345:18:54, 24 January 2008 (UTC)
318:18:39, 24 January 2008 (UTC)
303:15:31, 24 January 2008 (UTC)
275:16:50, 18 January 2008 (UTC)
261:16:32, 18 January 2008 (UTC)
238:12:43, 18 January 2008 (UTC)
218:12:29, 18 January 2008 (UTC)
185:12:43, 18 January 2008 (UTC)
161:16:32, 17 January 2008 (UTC)
125:16:58, 16 January 2008 (UTC)
98:05:17, 18 January 2008 (UTC)
918:and submit your choices on
657:02:26, 15 August 2008 (UTC)
641:10:52, 13 August 2008 (UTC)
999:
924:MediaWiki message delivery
783:09:55, 15 April 2009 (UTC)
709:
679:the image description page
610:02:01, 6 August 2008 (UTC)
333:Chemical Abstracts Service
200:User:ChemSpiderMan/Sandbox
941:
877:08:39, 19 June 2013 (UTC)
814:22:49, 10 June 2011 (UTC)
763:Hi - the ChemSpider page
591:19:47, 21 June 2008 (UTC)
444:Molecular weight of salts
171:I have moved the article
652:
566:17:01, 25 May 2008 (UTC)
545:Cephalosporin structures
531:
476:
425:
313:
270:
233:
180:
93:
788:Proposed Image Deletion
68:PiHKAL article mistakes
946:
629:comments on their site
949:Thanks for uploading
944:
896:Arbitration Committee
667:Thanks for uploading
507:CAS validation files
359:to curate data there
215:on public computers)
900:arbitration process
864:O-Desmethyltramadol
670:Image:Simbiosys.png
228:for collaboration--
952:File:Simbiosys.png
947:
912:arbitration policy
839:MessageDeliveryBot
619:Have you seen the
615:Freebase chemicals
957:claim of fair use
854:
827:. Please see the
768:Hipposudoric acid
759:Hipposudoric acid
756:
755:
745:
744:
738:
564:
384:
371:comment added by
216:
208:Beetstra (public)
39:
990:
943:
836:
810:
808:
796:
795:
747:
728:
714:
707:
554:
385:24 January 2008
366:
210:
116:
110:
49:Chemistry errors
29:
998:
997:
993:
992:
991:
989:
988:
987:
974:. Thank you. --
939:
920:the voting page
886:
860:
821:
806:
804:
793:
790:
761:
723:
705:
665:
617:
598:
578:
547:
509:
489:
446:
282:
245:
144:Talk:ChemSpider
136:
130:Improvement of
114:
108:
105:
70:
51:
19:
12:
11:
5:
996:
994:
938:
935:
889:
885:
880:
869:Destruktor5000
859:
856:
820:
817:
789:
786:
760:
757:
754:
753:
743:
742:
719:
717:
715:
704:
701:
664:
661:
660:
659:
616:
613:
597:
594:
577:
574:
573:
572:
546:
543:
541:
539:
538:
508:
505:
488:
485:
484:
483:
448:I notice this
445:
442:
441:
440:
439:
438:
437:
436:
435:
434:
433:
432:
409:
281:
278:
244:
241:
223:
221:
220:
203:
189:
169:
168:
135:
128:
104:
101:
69:
66:
50:
47:
45:
23:Artelinic acid
18:
15:
13:
10:
9:
6:
4:
3:
2:
995:
986:
985:
981:
977:
973:
969:
964:
962:
958:
954:
953:
936:
934:
933:
929:
925:
921:
917:
913:
909:
905:
901:
897:
893:
884:
881:
879:
878:
874:
870:
865:
857:
855:
852:
848:
844:
841:on behalf of
840:
837:Delivered by
834:
832:
831:
826:
818:
816:
815:
812:
811:
800:
787:
785:
784:
780:
776:
772:
769:
766:you gave for
765:
758:
752:
748:
741:
736:
732:
727:
726:Fvasconcellos
722:
716:
713:
708:
700:
699:
695:
691:
686:
684:
680:
676:
672:
671:
662:
658:
654:
650:
649:ChemSpiderMan
645:
644:
643:
642:
638:
634:
630:
626:
622:
614:
612:
611:
607:
603:
595:
593:
592:
588:
584:
575:
570:
569:
568:
567:
562:
558:
553:
552:Fvasconcellos
544:
542:
537:
533:
529:
528:ChemSpiderMan
525:
524:
523:
522:
518:
514:
506:
504:
503:
499:
495:
486:
482:
478:
474:
473:ChemSpiderMan
470:
466:
465:
464:
463:
459:
455:
451:
443:
431:
427:
423:
422:ChemSpiderMan
419:
415:
410:
406:
405:
404:
400:
396:
392:
387:
386:
382:
378:
374:
373:ChemSpiderMan
370:
364:
360:
356:
352:
348:
347:
346:
342:
338:
334:
329:
325:
321:
320:
319:
315:
311:
310:ChemSpiderMan
307:
306:
305:
304:
300:
296:
292:
288:
279:
277:
276:
272:
268:
267:ChemSpiderMan
263:
262:
258:
254:
250:
242:
240:
239:
235:
231:
230:ChemSpiderMan
227:
219:
214:
213:Dirk Beetstra
209:
204:
201:
197:
192:
191:
190:
187:
186:
182:
178:
177:ChemSpiderMan
174:
165:
164:
163:
162:
158:
154:
149:
145:
141:
133:
129:
127:
126:
123:
122:Dirk Beetstra
119:
113:
102:
100:
99:
95:
91:
90:ChemSpiderMan
85:
84:
81:
80:
76:
67:
65:
64:
60:
56:
48:
46:
43:
42:
37:
33:
28:
27:Fvasconcellos
24:
16:
967:
965:
950:
948:
887:
861:
835:
829:
822:
802:
791:
762:
750:
720:
687:
668:
666:
618:
599:
579:
548:
540:
510:
490:
450:blog posting
447:
376:
283:
264:
246:
222:
188:
170:
137:
106:
86:
78:
74:
71:
52:
44:
20:
367:—Preceding
285:correct in
112:chembox new
908:topic bans
830:discussion
576:Atracurium
494:Axiosaurus
454:EdJohnston
395:EdJohnston
337:EdJohnston
328:β-Santalol
324:ChemSpider
287:β-Santalol
153:EdJohnston
140:ChemSpider
132:ChemSpider
904:site bans
621:chemicals
492:Cheers!--
291:Karl Hahn
198:or here:
968:articles
625:freebase
381:contribs
369:unsigned
363:old post
280:Santalol
253:Walkerma
243:Drugbank
103:Workshop
59:Edgar181
17:Hi there
775:Evercat
583:Bejmark
134:article
894:. The
809:jones
690:STBotI
148:WP:COI
976:B-bot
849:) at
843:MGA73
391:above
79:force
980:talk
928:talk
873:talk
847:talk
779:talk
694:talk
653:talk
637:talk
606:talk
602:JaGa
587:talk
532:talk
517:talk
513:Itub
498:talk
477:talk
469:here
458:talk
426:talk
399:talk
377:talk
355:here
351:here
341:talk
314:talk
271:talk
257:talk
249:this
234:talk
226:here
181:talk
173:here
157:talk
118:here
94:talk
77:the
963:).
888:Hi,
805:Ron
633:JKW
623:on
297:) (
75:Use
982:)
930:)
906:,
875:)
781:)
696:)
685:.
655:)
639:)
608:)
589:)
534:)
519:)
500:)
479:)
471:--
460:)
428:)
401:)
379:•
343:)
335:?
316:)
301:)
273:)
259:)
251:.
236:)
183:)
159:)
115:}}
109:{{
96:)
61:)
55:Ed
978:(
945:⚠
926:(
871:(
853:.
845:(
807:h
777:(
737:)
735:c
733:·
731:t
729:(
721:W
692:(
651:(
635:(
604:(
585:(
563:)
561:c
559:·
557:t
555:(
530:(
515:(
496:(
475:(
456:(
424:(
397:(
383:)
375:(
339:(
312:(
299:C
295:T
293:(
269:(
255:(
232:(
211:(
202:?
179:(
155:(
92:(
57:(
38:)
36:c
34:·
32:t
30:(
Text is available under the Creative Commons Attribution-ShareAlike License. Additional terms may apply.