Artificial intelligence (AI)
The latest chemistry news and research on artificial intelligence, including cheminformatics, quantum chemistry simulation and property prediction, from the Royal Society of Chemistry's magazine, Chemistry World
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ResearchGPT-based AI tool predicts inorganic crystal structures
CrystaLLM uses GPT to arrange atoms, turning text-based data into numerical tokens
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OpinionThere are no life lessons to be learned in AI’s Chinese Room
There’s a lot more lab work to do before we understand the ‘language of life’
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WhitepaperDigital tools for deft materials development
Discover how Microsoft can help you turn years of lab work into days of computation
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NewsAlphaFold developer says AI is just getting started in science
Chemistry Nobel laureate John Jumper says latest version of AlphaFold is making good progress on interactions between molecules and protein
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ResearchLarge language models are better than humans at answering chemistry questions
AI models outperform human chemists in every topic area. But are they really better chemists?
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ResearchAI robots work together to perform autonomous synthesis and analysis
System offers route for rapid testing, analysis and interpretation of a wide range of chemistries
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OpinionCan the work of Professor R Obot be beautiful too?
The rise of AI raises questions about how we judge results
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OpinionDid AI just win the Nobel prizes in physics and chemistry?
The importance of the expert eye in scientific progress
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OpinionLarge language models are great, but they don’t speak to me
AI has some made tremendous achievements, but some things mean more than words
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OpinionThis year’s chemistry Nobel proves it’s hard to make predictions
It’s been a long journey from the myoglobin model
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NewsTwenty ways AI is advancing chemistry
List reveals how machine learning is already changing the central science
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FeatureHow AI protein structure prediction and design won the Nobel prize
David Baker, Demis Hassabis and John Jumper won this year’s Nobel prize in chemistry. Jamie Durrani investigates the origins of a biochemistry revolution
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NewsExplainer: Why have protein design and structure prediction won the 2024 Nobel prize in chemistry?
Research that has taken us from sequence to structure and back again
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NewsProtein design and structure prediction wins chemistry Nobel prize
David Baker, Demis Hassabis and John Jumper were rewarded for creating computational tools to design proteins and predict their structures that have ‘revolutionised biological chemistry’
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OpinionLessons from a Nobel laureate teach us how to think better
In a world of AI, chemists need statistical thinking
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ResearchProteins with multiple structures open up AlphaFold’s black box
AI prediction model often fails to identify fold-switching, helping show how it works and the limits of its usefulness
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NewsPredictions for the 2024 chemistry prize highlight growing importance of AI and computational methods
Protein structure prediction, efficient simulations and clean energy among the fields tipped for recognition by chemistry’s top prize
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NewsCommission launches call for AI ‘factories’ to aid research and industry
It is hoped these facilities will help speed up development of applications in healthcare, energy, transport, defence and manufacturing
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WebinarAI meets chemistry: Standigm’s breakthrough with Synthia Retrosynthesis Software
Discover how Standigm’s use of Synthia can accelerate AI-driven drug discovery
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WebinarAccelerating density functional theory for faster calculations
Learn how to significantly speed up simulations on molecular structures with Accelerated DFT