All artificial intelligence articles
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ResearchProgram finds 5 million synthetic routes to complex chemicals
Only around five hundred ‘tactical combinations’ for advanced organic synthesis existed – until Chematica was let loose on the problem
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Sponsored
Pharma and healthcare meets data and digitalisation
UK-based company Life Science Integrates exists to facilitate collaboration between digital, pharma and life sciences industries – helping form partnerships that revolutionise healthcare
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Sponsored
Artificial intelligence: on the cusp of a digital revolution
AI is transforming the pharma industry and its drug discovery pipeline
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Research
Machine learning predicts electron densities with DFT accuracy
Non-covalent interactions and electron densities can be explored quickly without the need for expensive and time-consuming quantum chemical calculations
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Research
Language-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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Research
Human 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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Research
Retrosynthetic algorithm broadened to design similar, but different, molecules
Chematica can now design efficient syntheses for large compound libraries
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Research
Uncertainty metric builds confidence in machine learned-chemistry
Calculation will help users recognise when they need to retrain a neural network
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Research
Algorithm 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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Research
Translating 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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Research
Artificial synapse built to resist water and organic solvents at last
Network made from e-synapses learns to recognise handwritten-numbers
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Review
Exhibition: AI: More than Human
The Barbican Centre’s AI: More than Human exhibition explores AI’s origins in history and culture, and delves into the ways the technology is set to change the way we think about intelligence in the future
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Opinion
'Coffee machine' synthesiser's first steps
Cartridge-based machine enables non-experts to make heterocycles
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Business
Fighting fake medicines
RxAll’s handheld scanner assesses drug quality in real time via a smartphone
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Research
Neural 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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Opinion
Death 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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Research
Patent-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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Review
The Book of Why: The New Science of Cause and Effect
Artificial intelligence pioneer Judea Pearl and science writer Dana Mackenzie explore causality
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Research
Dispute 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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Review
Hello 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
