User talk:Dvwynn

SMILES "circle in polygon" problem

Not sure you saw my response to you at Talk:Lysergic acid diethylamide:

By "circle in polygon", do you mean "aromatic ring"? That's one of the well-defined parts of the SMILES#Aromaticity system, so please file a bug with the authors of software that can't handle it. You might want to bring this issue up on Wikipedia talk:WikiProject Chemicals or Wikipedia talk:Chemical infobox 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". DMacks (talk) 14:10, 26 July 2013 (UTC)

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 using this Wikipedia 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 DMacks (talk) 16:31, 28 July 2013 (UTC) Good point, well made. I am kind of surprised Wiki hasn't written or used one of the SMILES<->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.

URLS

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.

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.

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 problem. Anyone taking the SMILES and placing it into Reaxys will find zilch.

I bow to your superior knowledge.

Thanks.

Concerning the reference to Viminol above, this probably refers to user 86.30.243.179 (talk · contribs) who added the SMILES string to this article. Boghog (talk) 20:08, 30 September 2013 (UTC)

Aromatic SMILES

Concerning your edit 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",

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 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?

I can find no evidence that the lowercase aromatic symbols have been deprecated in SMILES. The Daylight SMILES specification, 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". Boghog (talk) 16:59, 28 September 2013 (UTC)

According to the OpenSMILES specification, "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. Boghog (talk) 17:14, 28 September 2013 (UTC)

"aromatic-rings in SMILES is depreciated deprecated " Boghog (talk) 19:47, 30 September 2013 (UTC)

Source of Depreciation

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 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.

Your submission at Articles for creation: sandbox (May 18)

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Hasteur (talk) 12:33, 18 May 2014 (UTC)

Hello! Dvwynn, 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 Articles for creation help desk. If you have any other questions about your editing experience, we'd love to help you at the Teahouse, a friendly space on Wikipedia where experienced editors lend a hand to help new editors like yourself! See you there! Hasteur (talk) 12:33, 18 May 2014 (UTC)

Your submission at Articles for creation: sandbox (May 20)

Your recent article submission to Articles for Creation has been reviewed! Unfortunately, it has not been accepted at this time.
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 resolved.

• If you would like to continue working on the submission, you can find it at User:Dvwynn/sandbox.
• To edit the submission, click on the "Edit" tab at the top of the window.
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Hasteur (talk) 12:30, 20 May 2014 (UTC)

Your recent edits

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Your submission at AfC U-47700 (drug) was accepted

U-47700 (drug), which you submitted to Articles for creation, has been created.
The article has been assessed as Stub-Class, which is recorded on the article's talk page. You may like to take a look at the grading scheme to see how you can improve the article.

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Zach Vega (talk to me) 16:42, 6 June 2014 (UTC)

Deleting Sandbox

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?

Thanks,

Talk pages

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}} Testem (talk) 18:57, 11 November 2014 (UTC)

Hello @Dvwynn: please read this message. Testem (talk) 14:50, 12 November 2014 (UTC)

November 2014

Hello, I'm Demize. I noticed that you recently removed all content from U-47700, with this edit without explaining why. In the future, it would be helpful to others if you described your changes to Wikipedia with an edit summary. 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 my talk page. Thanks. demize (t · c) 21:44, 12 November 2014 (UTC)

Please refrain from making nonconstructive edits to Wikipedia, as you did at U-47700 with this edit. Your edits appear to constitute vandalism and have been reverted or removed. If you would like to experiment, please use the sandbox. Administrators have the ability to block users from editing if they repeatedly engage in vandalism. Thank you. — BranStark (talk) 16:30, 13 November 2014 (UTC)

Please do not remove all content from pages without explanation, as you did with this edit to U-47700. If you continue to do so, you may be blocked from editing. KylieTastic (talk) 16:35, 13 November 2014 (UTC)

On Purpose

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 decision.— Preceding unsigned comment added by Dvwynn (talk • contribs) 21:50, 12 November 2014‎ (UTC)

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 :) Testem (talk) 22:20, 12 November 2014 (UTC)

Having looked through the revision history of the page, I agree with Testem. 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. Wikipedia 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 talk page and come to an agreement. That sort of collaboration is what makes Wikipedia a great encyclopedia. demize (t · c) 17:09, 13 November 2014 (UTC)

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)[C@@H]1CCC[C@@H](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 for.— Preceding unsigned comment added by Dvwynn (talk • contribs) 18:06, 13 November 2014‎ (UTC)

ArbCom elections are now open!

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ArbCom Elections 2016: Voting now open!

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Proposed deletion of File:U-47700 structure.png

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