All Informatics articles
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ResearchChemical ‘waves’ used to encode words as Morse code
A controllable, oscillating reaction has been used to generate waves of different forms for information transduction
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ResearchComputer vision accelerates self-driving reaction workups from being automated to autonomous
Platform understands significance of solid residues, liquid levels, homogeneity, turbidity and colours
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ResearchAssembly theory puts chemistry centre stage to explain molecular complexity and life’s origins
Concept that attempts to join physics and biology via chemistry met with interest but also harsh criticism
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ResearchTransformation analysis reveals structural similarities in FDA-approved drugs
Reaction informatics tools combined to create a new method for mapping chemical space
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ResearchNeural network-generated odour map connects smells to their chemical structure
Researchers hope to be able to digitise odours to allow specific scents to be put together on demand
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ResearchPeptide tags that encode chemical libraries could revolutionise drug discovery
Simple strings of amino acids store over 4 gigabits of data, offering a highly stable solution for screening small molecule libraries
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WebinarRobots in the lab – learn how automation can streamline your workflow
The future of lab automation is promising. This webinar session reveals the answers to the most important questions in chemistry related automation today
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FeatureThe robots revolutionising chemistry
Researchers working with automated systems are pushing the boundaries of what chemists can achieve in the lab, reports James Mitchell Crow
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ResearchGut microbiome analysis spots sleep-deprived mice
Fluorescence-based sensing array that identifies bacteria in stool samples could be developed into a tool for diagnosing various conditions
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NewsYield-predicting AI needs chemists to stop ignoring failed experiments
For machine-learning algorithms to make accurate yield predictions, chemists need to start reporting more low-yielding reactions and spell out implied experimental details
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ResearchNew ordering of elements could help find materials with promising properties
Universal sequence of elements index uses atomic radii and electronegativity to make predictions about simple compounds
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ResearchTextbook structure rules formulated by Linus Pauling 90 years ago prove unreliable
Just 13% of 5000 oxides found to fulfil all five coordination geometry predictions
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ResearchPoly(ionic liquid)s respond like taste buds in new saccharide detection system
System that exploits non-covalent interactions between ionic liquid moieties and carbohydrates could have multiple real-world applications
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OpinionComputer literate
Computational chemistry is no longer an esoteric sub-discipline, it’s everywhere
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ResearchSix degrees of chemical separation
Network analysis provides insight into navigating chemical space
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ResearchNeural network predicts bond energies like a pro
New computational method learns how to estimate bond energies as well as a trained synthetic chemist
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ResearchAlgorithm on the nose when it comes to predicting molecules' smells
Crowdsourced model offers new insight into our sense of smell
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FeatureData on demand
Chris Chapman looks at how researchers are overcoming the challenge of accessing analytical data across multiple systems
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FeatureExploiting the data mine
Chemists must embrace open data to allow us to collectively get the best out of the masses of new knowledge we unearth, reports Clare Sansom