Machine learning – Page 6
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ResearchLanguage-based software’s accurate predictions translate to benefits for chemists
State-of-the-art design for computer language processing results in improved models for predicting chemistry
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ResearchHuman biases cause problems for machines trying to learn chemistry
Including ‘unpopular’ reagents and reaction conditions into datasets could lead to better machine-learning models
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ResearchRetrosynthetic algorithm broadened to design similar, but different, molecules
Chematica can now design efficient syntheses for large compound libraries
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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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OpinionMachine-learning Mendeleevs have rediscovered the periodic table
Exposing new dimensions in the relationships between elements
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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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ResearchAlgorithm accurately predicts mechanical properties of existing and theoretical MOFs
Machine learning could speed up the production and use of coordination polymers in industry
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BusinessFighting fake medicines
RxAll’s handheld scanner assesses drug quality in real time via a smartphone
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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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OpinionDeath of the author
The first machine-generated book in chemistry is here. But is it any good? And what future does it herald?
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NewsLithium–ion battery book written by machine learning algorithm
Slip-ups and incoherent text show that machine written books have a way to go yet
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ResearchLigand selector steers C–N cross-couplings down most sustainable path
Tool is step towards strategy that considers reagents and reactants above and below the arrow
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ResearchMachine learning predicts ammunition from gunshot residue
Forensic tool will assist investigators by turning back time on firearm chemistry
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ResearchPatent-busting AI tool navigates around protected drug pathways
Organic retrosynthesis software can identify key bonds involved in patented reactions to find alternative pathways
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ResearchDispute over reaction prediction puts machine learning’s pitfalls in spotlight
Two research teams’ argument over a reaction-predicting algorithm show that there is still a lot to understand when applying machine learning to chemistry
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ReviewHello World: How to be Human in the Age of the Machine
Mathematician Hannah Fry explores the power and limitations of the algorithms that surround us
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ResearchMachine learning behind beta boron bonding breakthrough
Study resolves long-standing uncertainty over structure of boron
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ResearchAlgorithm decides on chemical compromises when optimising self-driving experiments
Greek mythology inspires machine-learning approach