All chemical structures articles
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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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Research
Controversy 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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Research
Pepto-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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Research
Automated carbon-13 NMR structure validation program highlights errors atom-by-atom
Introducing a new measure to quantify molecular structural uncertainty
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Opinion
We need our simple symbols, but machines might not
Will the curly arrow still be with us in another 100 years?
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Opinion
Weininger’s Smiles
The man whose code – and attitude to life – brought much happiness to chemists
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Research
Machine learning accurately predicts RNA structures using tiny dataset
Development could lead to better understanding of RNA and new medicines
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Research
App 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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Research
Molecular 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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Podcast
Azidoazide 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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Research
Lessons from an unlikely cadmium carbonyl compound
Complete structural reassignment sees cadmium, carbon and chlorine replaced with rhenium, nitrogen and sulfur
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Research
Serendipitous 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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Research
Program 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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Opinion
Kathleen Lonsdale’s crystallography tables
No princes were needed on the quest for structure factors
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News
PDFs 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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Research
Cryo-EM method offers organic analysis certainty
MicroED technique gives rapid, unambiguous structure determination with small, amorphous samples
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Research
Tool 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
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Sponsored
A guide to searching and using Markush structures
Chemical patents are often very long and difficult to read. Markush searching can enable you to easily categorise and filter the information you need, giving you the insights that a paper sometimes cannot.
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Research
Old and new spectroscopic techniques team up to decipher intricate alkaloids
Cutting-edge strategies set to increase our access to chemical space after researchers use them to verify unprecedented structures
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Webinar
Solving the issues in standardisation of stereochemical representations
Learn about technology that solves the issue of interpreting 3D stereochemical information implied in 2D structure representations.
