All chemical structures articles
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ResearchInfrared and NMR fusion boosts automated structure verification
Study highlights untapped potential of IR spectroscopy data
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NewsThe chemistry community should ban drawing chemical structures with generative AI, chemists warn
AIs like Microsoft’s Copilot, Google’s Gemini and OpenAI’s ChatGPT still make serious errors rendering structural formulae
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ResearchLadder-like polymer that could halt electrical overheating divides opinion
Questions raised over reported structure and whether the polymer can even perform as researchers hope
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ResearchMachine learning massively speeds up scouring of periodic table for stable structures
Algorithm investigated 31 million crystal structures with calculations taking seconds instead of hours
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ResearchControversy surrounds corrected chemical structures
Researchers used machine learning-powered NMR prediction to correct improbable structures – but some of their revisions have been challenged
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ResearchPepto-Bismol compound’s structure unveiled after 120 years
Electron microscopy triumphed over x-ray crystallography as century-old structural puzzle around bismuth subsalicylate is finally solved
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ResearchAutomated carbon-13 NMR structure validation program highlights errors atom-by-atom
Introducing a new measure to quantify molecular structural uncertainty
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OpinionWe need our simple symbols, but machines might not
Will the curly arrow still be with us in another 100 years?
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OpinionWeininger’s Smiles
The man whose code – and attitude to life – brought much happiness to chemists
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ResearchMachine learning accurately predicts RNA structures using tiny dataset
Development could lead to better understanding of RNA and new medicines
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ResearchApp creates floating 3D molecules from hand-drawn chemical structures
MolAR also lets users visualise molecules in water, coffee and fruit by scanning them with a smartphone camera
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ResearchMolecular cryo-EM discovers error in 25-year-old natural product structure
Nobel prize-winning biomolecule imaging technique adapted to characterise chemical compounds faster and easier than NMR and x-ray
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PodcastAzidoazide azide
A compound so explosively unstable that nobody has been able to measure how sensitive it is without it, well, exploding
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ResearchLessons from an unlikely cadmium carbonyl compound
Complete structural reassignment sees cadmium, carbon and chlorine replaced with rhenium, nitrogen and sulfur
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ResearchSerendipitous experiment on xenon complex reveals insights into rare gas interaction
Experiment and theory combo gives benchmark for predicting non-covalent complexes
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ResearchProgram that automatically interprets NMR spectra is boon for structure elucidation
Raw NMR data takes 60 seconds, rather than eight hours, to go from spectrometer to structure
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OpinionKathleen Lonsdale’s crystallography tables
No princes were needed on the quest for structure factors
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NewsPDFs dragged into digital age with 3D interactive chemical structures
Simple method allows a range of file types to be converted into 3D structures
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ResearchCryo-EM method offers organic analysis certainty
MicroED technique gives rapid, unambiguous structure determination with small, amorphous samples
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ResearchTool to navigate chemical space aims to be ‘Google Maps of drugs’
Software allows links between 8000 drugs and 47,000 compounds of environmental concern to be explored in 3D