All neural network articles
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ResearchNeural network boosts chiral ligand design
System trained on small dataset to optimise Negishi cross-coupling reaction
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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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ResearchNew neural networks calculate catalysts’ adsorption energy ‘with lightning-fast speed’
AI has been used to overcome the problems of modelling massive molecules on metal surfaces, which could accelerate the design of efficient catalysts
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OpinionFrom the St Valentine’s Day Massacre to modern ballistics analysis
Computational methods are making firearm evidence more statistically sound
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ResearchAI model accurately classifies reaction mechanisms
Machine learning ‘surpasses chemist experts’ in identifying chemical processes
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ResearchMachine learning navigates vast materials space to discover new high-performance alloys
Neural net suggested unusual element combination to create better Invar alloys
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ResearchNeural network scours vast chemical space to design drug-delivering peptides
Oligonucleotide drug activity boosted 50-fold with peptide designed by machine learning algorithm
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OpinionLearning the language of chemistry
Artificial intelligence works out the grammar of chemical reactions
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ResearchNeural network based on autocatalytic reaction performs image classification
Click reaction between small organic molecules used to execute a computing task
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ResearchQuantum chemistry simulations offers beguiling possibility of ‘solving chemistry’
Academics and tech giants are using neural networks to represent electronic behaviour
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PodcastBook Club – You Look Like a Thing and I Love You by Janelle Shane
We talk about Janelle Shane’s dive into the depths of AI weirdness
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ReviewYou Look Like a Thing and I Love You: How Artificial Intelligence Works and Why It’s Making the World a Weirder Place
From giraffes to strange pickup lines, this delightful and often laugh-out-loud book will help anyone understand AI better
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ResearchAre synthetic chemists out of a job as AI meets automation?
Platform can weigh up a synthetic route, plan it and then carry out it
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ResearchUncertainty metric builds confidence in machine learned-chemistry
Calculation will help users recognise when they need to retrain a neural network
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ResearchAlgorithm finds the 569 molecules that might drive a waste-free economy
Strategic compounds within a huge chemical network pinpointed by machine learning
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ResearchTranslating molecules into music helps humans and AI understand proteins
Scientists make amino acids’ vibrations audible to train artificial intelligence programs in protein design
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ResearchArtificial synapse built to resist water and organic solvents at last
Network made from e-synapses learns to recognise handwritten-numbers
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ResearchNeural network folds proteins a million times faster than its competitors
Machine learning algorithm that predicts protein structures in milliseconds could top next protein folding contest
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ResearchMachine learning behind beta boron bonding breakthrough
Study resolves long-standing uncertainty over structure of boron
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ResearchAI teaches itself to identify materials – and predict new ones too
Neural network trained up on 50,000 crystal structures shows promise rapidly navigating chemical element combinations