All Informatics articles
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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. Join us to find out answers to the most important questions, and to contribute your knowledge and experience to the discussion.
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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
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FeaturePeople power
Harnessing the wisdom – and money – of crowds has rocketed in popularity in recent years. Clare Sansom looks at whether chemistry can join the gang