ChemSpider from the Royal Society of Chemistry retweetledi
ChemSpider from the Royal Society of Chemistry
832 posts
ChemSpider from the Royal Society of Chemistry
@ChemSpider
The quick way to search 129 million chemical structures by name, synonym and InChI to find data + links to other resources. From the Royal Society of Chemistry
Katılım Kasım 2009
745 Takip Edilen3.5K Takipçiler
ChemSpider from the Royal Society of Chemistry retweetledi
Join us on Tuesday for a webinar with Simon Elliott, Director of atomic level process simulation at Schrödinger exploring innovative modelling approaches to enhance your surface chemistry research outcomes. Register today: attendee.gotowebinar.com/register/30908… #ad
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ChemSpider from the Royal Society of Chemistry retweetledi
Explore how to accelerate density functional theory for faster calculations in this free, @Microsoft-sponsored webinar. Learn the latest advancements in computational chemistry, register today!
attendee.gotowebinar.com/register/29325… #ad
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ChemSpider from the Royal Society of Chemistry retweetledi
A collaboration between @Microsoft and the @ENERGY's @PNNLab aims to demonstrate the innovative power of combining AI with high-performance computing. In under 9 months, the teams discovered a promising new battery material.
chemistryworld.com/sponsored-cont… #ad
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Register for the final ChemSpider webinar this year on the landscape of chemistry data: 7th December
rsc.zoom.us/webinar/regist…
@HerresLab @SamiKanza @PSDI_UK @ScientificData
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Register for the next ChemSpider webinar on the landscape of chemistry data: 17th November rsc.zoom.us/webinar/regist…
@profechem @kamerlinlab @GT_Chem @ChemicalScience @digital_rsc
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What’s the current landscape for digital chemistry data? Elevate your research by discovering developments in the first expert webinar of our new ChemSpider series: rsc.zoom.us/webinar/regist…
@FairChemistry @RevvitySignals @kmjablonka
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@andresdelcas No, they are the same compound. One name describes the chemical based on its parts (a methyl group, attached to a benzene ring), and the other is a name for the whole chemical.
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Is there any difference between Methyl-Benzene and Toluene?
#plasticstreaty #chemicals
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@cdsouthan @ElsLifeSciences @SciFinder @pubchem @emblebi Although the numbers haven't gone up much, we have been working hard in the background. Our main focuses this year were on cleaning up and curating our existing data and working on technical development rather than adding lots of new compounds.
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Well, whadaya know - in latest #greatcompoundrace Reaxys @ElsLifeSciences jumps ahead of @SciFinder by 50 mill (or caveats in the technicalities of distinct chemistry counting?) public numbers for @pubchem @emblebi UniChem & @ChemSpider all flattening in 2022.
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ChemSpider from the Royal Society of Chemistry retweetledi
This was a really nice opportunity to add some #OpenScience and #FAIR #chemistry #cheminformatics musings to an editorial, thanks to Xiang-dong Li for the opportunity.
Mentions of CAS, PARC, @pubchem @ChemSpider @NORMAN_network @WishartLab and more!
Ling Nathanael Jin@NathanaelJin
Opening the new issue of ACS Environ. Au @EnvSciTech is a vigorous editorial by our EAB colleague @ESchymanski on the role of open chemistry in addressing global challenges such as pandemics and air pollution that among others form the exciting research. pubs.acs.org/doi/10.1021/ac…
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@cdsouthan @nmsoftware @jwmay @GuidetoPHARM @WildCation We try to include every small molecule drug assigned an INN or USAN generic name. This one was, unfortunately, a bit too big for us.
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Mission for @nmsoftware? (should @jwmay choose to accept) can u get the sugar'n spice SMILES out so @GuidetoPHARM can > PubChem (but could be over the limit). Maybe @WildCation might also wrangle for @ChemSpider ? (but its not a competition)
drug hunter@drughunter_com
June 2022 FDA #DrugApprovals | bit.ly/3yvmRd1 We covered vutrisiran (Amvuttra), a siRNA drug approved by the FDA in June. Understand the industry context, clinical data, target rationale, mechanism of action, and the drug’s origins. #drughunter
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@drchrispook Hi Chris, thanks for letting us know. We're investigating.
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Hello @ChemSpider, is your web API down? My ChemSpiPy code ran fine yesterday and today I get RemoteDisconnected('Remote end closed connection without response').
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@stuartcantrill @j_timmer @metricausa @ZondloLab @arstechnica We don't require users to contact us for reuse permission. However, we do appreciate being told about it, because it's gratifying to know that the work we do is useful, and it gives us an idea of our users' priorities for the site.
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@stuartcantrill @j_timmer @metricausa @ZondloLab @arstechnica Any of the data visible on the structure page, including the structure image, can be reused for any purpose including in publications. Conditions: cite us as the source, and don't scrape the site in bulk as this makes the site less stable for everyone.
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FOR THE LOVE OF ALL THAT IS HOLY, SHOW THE STEREOCHEMISTRY! IT KIND OF MATTERS FOR ASYMMETRIC CATALYSIS!
Ars Technica@arstechnica
Nobel awarded for making common, cheap chemicals into catalysts arstechnica.com/science/2021/1… by @j_timmer
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@egonwillighagen We're reviewing our options for how to significantly reduce this problem long term, but those take time to implement, so in the meantime we're having to put out the fires as they start. It's been frustrating all-around, and I'm sorry that this has affected the site's usability.
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@egonwillighagen I'm sorry that the site has been so unstable recently. We're dealing with bots spamming the platform, and although we keep implementing rules to block them out, they soon adapt and two days later we have to work out a way to block them again.
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@jwatson54 @SteveCurryMD Happy to assist!
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@SteveCurryMD Mephenhydramine? I’ll admit I’d never heard of it and I had to call a ChemSpider consult
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Med Tox Fellows: I had not seen this intoxication in a while, but recently has reappeared. 29 y.o. man found down. Seizure X 1 in ED. Coma, notable mydriasis, HR 144 (sinus), BP 89/55, dry axillae. QRS 132 msec. Why is this probably not a TCA overdose?
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@MolForecaster Thank you very much for compiling these, Downloading now!
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We added SMILES and molecular properties to the table and generated SDFs containing additional information. These can be downloaded and used for free from our website, here: #news" target="_blank" rel="nofollow noopener">molecularforecaster.com/about#news
#drugdiscovery #compchem #smallmolecules #support #openscience
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A recent paper in J. Med. Chem. by @MedChem_DGBrown and Heike Wobst @jnanatx impressively summarized a decade of FDA approvals: pubs.acs.org/doi/10.1021/ac…
With the authors's approval, our team compiled some additional CADD-friendly data to augment the full list of small molecules.
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