ChemSpider from the Royal Society of Chemistry
@ChemSpider
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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
Joined November 2009
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: https://t.co/EckmDtn2s8
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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! https://t.co/jX7WhHgLEX
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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. https://t.co/6jvKOpkpoj
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chemistryworld.com
Azure Quantum Elements platform speeds up discovery of solid-state electrolyte from decades to weeks
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Register for the final ChemSpider webinar this year on the landscape of chemistry data: 7th December https://t.co/wiTXi8QzGr
@HerresLab @SamiKanza @PSDI_UK @ScientificData
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Register for the next ChemSpider webinar on the landscape of chemistry data: 17th November https://t.co/qkbOqn4Juk
@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: https://t.co/XBxitlr07A
@FairChemistry @RevvitySignals @kmjablonka
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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!
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. https://t.co/DVYmgwYjw7
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Alizarin's red indigo's blue stick them in a vat and they'd dye for you!
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Year-end wrap-up! At the beginning of 2020, we had 80.56 million compounds. We are on track to have 98.65 million compounds by the end of the year - an increase of more than 18 million. This works out to around 49.5 thousand new compounds every day!
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1. Aspirin Holding the same top place as last year, this pain reliever can be used to prevent heart attacks. A derivative of an active ingredient isolated from willow bark, acetylsalicylic acid reminds us that many drugs originated in nature. https://t.co/m6VA1cfvN0
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2. Paracetamol (aka acetaminophen) A perennial favourite fever reducer and pain reliever, this drug held the bronze position in 2019. One of a handful of drugs with different US and international generic names, it's also called acetaminophen in America. https://t.co/NISMrI13rq
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3. Hydroxychloroquine 2020's dark horse compound, hydroxychloroquine didn't even reach the top 5000 last year. Unfortunately, although it received a lot of attention and research, it failed to live up to its initial promise as a treatment for COVID-19. https://t.co/7k29ZrwNx5
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4. Ethyl butyrate An ester used to impart a fresh, citrus- or pineapple-like fruity aroma. Commonly used to improve the flavour of fruit juices, or as a fragrance compound. Last year, this compound was the 12th most popular. https://t.co/9aB3e7TI0I
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5. Caffeine The molecule that gives coffee and tea their pep, this xanthine alkaloid held the same place last year. Our interest in, and reliance on, it as a central nervous system stimulant is constant. https://t.co/inc0jmuEUm
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ChemSpider 2020 year-in-review - Working from Home Edition This year's top 5 most accessed compounds:
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The FDA has now approved Zokinvy (lonafarnib) to treat Hutchinson-Guilford progeria syndrome. For more information about lonafarnib: https://t.co/J7EhrdTNQf
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New book on Artificial Intelligence in Drug Discovery just published: https://t.co/TDHDtY7HBG Includes a chapter from our own Data Science team.
books.rsc.org
Following significant advances in deep learning and related areas interest in artificial intelligence (AI) has rapidly grown. In particular, the applicatio
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‘Many textbooks don’t encourage the reader but rather, just present information concisely. That doesn't necessarily aid learning’ – @RoySocChem has a new approach to teaching stereochemistry https://t.co/XT6cDOnuo8
chemistryworld.com
The Royal Society of Chemistry has taken a new approach to teaching higher education students the fundamentals of maths and stereochemistry, putting students themselves at the heart of the process
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