889:. There are a few people who are actively trying to help improve the article there! This appears to be the first article you've created here, so I can understand why you might take offense to other people editing the article you created. But I see you've edited articles before, I assume to try to improve them. That's all that's being done here. Knowledge (XXG) isn't about "owning" content (that's why all content contributed is licensed under a Creative Commons license), it's about collaborating with other people, either directly or indirectly, and improving the body of knowledge contained in the encyclopedia through such collaboration. You clearly put a lot of effort into this article, but you do have to let other people edit it. You put it through AfC, an independent editor reviewed the article and decided it was a useful contribution. Now it's out in the wild for anyone to edit. If you take issue with their edits, then discuss it with them on the article's
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Discovery Studio. Maybe there is a top-down trickle but we also find that avoiding using the circle-in-polyon format means that suppliers and customers never ask to confirm. I DO appreciate that it is a less accurate way of describing the molecule but all of the images in Wiki avoid the circle-in-polygon so if nothing else, the SMILES matching the image is another consideration. I just do bits at work in free time but I presume there is some steering committee to decide the best path to follow - I'm sure you will know better than I. Thanks.
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I just copied and pasted the aromatized SMILES string for amphetamine, "NC(C)Cc1ccccc1", into Reaxys "Create
Structure Template from Name" / "Please enter a chemical identifier and then click "Submit"" / "IS Smiles", and Reaxys returned 147 hits, the first of which is racemic amphetamine. Using the
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I'm not well up on the hierarchy of Wiki but I promise this complaint is for everyone who comes after me. Kids in high school who WILL be using such tools all too soon. The
Daylight and OpenEye algorithms for generating canonical SMILES differ in their treatment of aromaticity and these lies the
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But this really is something that needs to be addressed in a more centralized manner...raising the profile of the problem so it becomes known among chem editors and/or easier solutions than manually fixing them. You say you "personally changed over 500" already (looks like many of those were not
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It was Reaxys themselves that told me when I tried in vein to find sertraline. Since Reaxys (and before that
Crossfire) is used by every chemistry department I've visited, whatever the exact situation, I have to load SMILES into ChemOffice & modify before I can use the string in Reaxys and
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using this
Knowledge (XXG) account of yours?). That's a lot of possibly worthwhile effort that will be lost if nobody else knows there is a problem...many of the standard SMILES generator tools appear to give the lower-case letters ready to be (re)copy&pasted into the infoboxes
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Hi, thanks for the kind words. I will just steer clear of it from now on. Although it doesn't show up in reaxys, CN(C)1CCC(C(N(C)CCC2=CC=C(Cl)C(Cl)=C2)=O)C1 was found to be a purish kappa. I'm sure it used to be on Wiki. My best wishes to you and to everyone you care
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Hello there, please check out this page and this one about using talk pages. Remember to sign messages using ~~~~, and reply to messages in the same discussion without adding a new ==Title==. You can indent replies using :. You can reply to users with {{ping|user}}
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All I am saying is that Reaxys - A cornerstone & THE standard tool for degree, pHd and further education does NOT accept circle-in-polygon format of aromatics. I would also add that the images don't use this format either so SMILES and image don't match up.
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is open from Monday, 00:00, 21 November through Sunday, 23:59, 4 December to all unblocked users who have registered an account before
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to get consensus how to proceed. It would be easy to semi-automate the fixes if that's the right solution. But instead there might be a strong push-back of "no, we don't need to change technically correct data to support buggy software".
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Hi, I spent a LONG time building that page and a whole bunch of people have been bitching about it so I give up. I mistakenly thought people would forgive my limitations but NO, not friendly at all. Not you, obviously. That's my
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U-47700 was OKed for inclusion in Wiki so I deleted the sandbox version... only to find I had deleted the current version. This is my first page so I obviously made so stupid error. Can someone fix and explain my stupidity?
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156:, which is about as close to an offical version as there is, still allows lowercase aromatic symbols and there is no mention that its use has been deprecated. Please provide a link to the "new SMILES guidelines".
969:. 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
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Image freewars that are out there. I guess a user-setting could then output SMILES in preferred format. As Wiki matures, it IS seen as a reliable source (I do my best to fine at least 2 references to an item.
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This will automatically insert a signature with your username or IP address and the time you posted the comment. This information is necessary to allow other editors to easily see who wrote what and when.
346:, I noticed your article was declined at Articles for Creation, and that can be disappointing. If you are wondering or curious about why your article submission was declined please post a question at the
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I just used MY URL which has been changed twice. If you look at all of the mods on, say, Viminol (refs, patents & stuff in the talk section) then that's 1 URL with over 600 changed listed.
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Kekulé SMILES, "NC(CC1=CC=CC=C1)C", returned the identical 147 hits. Hence aromatized SMILES strings are accepted by Reaxys. So don't draw all of the images in the SMILES format?
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I think there are a few other people including myself who really appreciated the time you spent on that article and will come along to defend it with you. Hang in there :)
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Please read the comments left by the reviewer on your submission. You are encouraged to edit the submission to address the issues raised and resubmit when they have been
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Please read the comments left by the reviewer on your submission. You are encouraged to edit the submission to address the issues raised and resubmit when they have been
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with the edit summary "don't use the circle-in-polygon format because Reaxys & SciFinder do not accept it and it's use is depreciated in the new SMILES guidelines",
174:, "Write the aromatic form in preference to the Kekule form." "c1ccccc1" is listed as an example of the corrected normalized form while "C1=CC=CC=C1" is incorrect.
731:. If this was a mistake, don't worry, I restored the page's content. If you think I made a mistake, or if you have any questions, you can leave me a message on
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Good point, well made. I am kind of surprised Wiki hasn't written or used one of the SMILES<-: -->
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I can find no evidence that the lowercase aromatic symbols have been deprecated in SMILES.
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problem. Anyone taking the SMILES and placing it into Reaxys will find zilch.
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667:Testem
511:tildes
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