All Informatics articles
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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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News
Yield-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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Research
New 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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Research
Textbook 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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Research
Poly(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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Opinion
Computer literate
Computational chemistry is no longer an esoteric sub-discipline, it’s everywhere
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Research
Six degrees of chemical separation
Network analysis provides insight into navigating chemical space
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Research
Neural 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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Research
Algorithm on the nose when it comes to predicting molecules' smells
Crowdsourced model offers new insight into our sense of smell
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Feature
Data on demand
Chris Chapman looks at how researchers are overcoming the challenge of accessing analytical data across multiple systems
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Feature
Exploiting 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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Feature
People 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
