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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News
Explainer: 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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News
Protein 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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Opinion
Lessons from a Nobel laureate teach us how to think better
In a world of AI, chemists need statistical thinking
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Research
Proteins 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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News
Predictions 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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News
Commission 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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Webinar
AI 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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Webinar
Accelerating density functional theory for faster calculations
Learn how to significantly speed up simulations on molecular structures with Accelerated DFT
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News
Should scientists be paid when AI chatbots use their work?
Two major scientific publishers have recently sold access to research papers to train AIs at big tech firms
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Research
Labs across the globe networked by AI discover state-of-the-art emitters for lasers
Demonstration shows how algorithms could organise timing and match specialist equipment to experiments
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Webinar
Expanding AI and next generation simulation tools to accelerate scientific discovery
Learn how new AI and HPC capabilities will enable novel solutions to complex chemistry problems
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News
Are we rushing ahead with AI in the lab?
Patience will be key to making machine learning indispensable – and practical – for chemistry
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Research
Brewing better Belgian beer with artificial intelligence
Machine learning tool can predict a beer’s taste and quality and which flavour compounds could improve it
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Research
AI could provide new approach to assessing chemical toxicity thresholds in aquatic organisms
Model showed excellent predicative ability and could cut animal testing in pollution research
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Research
GPT-3 trained and tuned to predict molecular properties
A better understanding of Smiles helps GPT-3 recognise chemically relevant patterns
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Article
Microsoft’s AI and high-performance computing system powers new battery discovery
Azure Quantum Elements platform speeds up discovery of solid-state electrolyte from decades to weeks
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Webinar
Accelerating materials discovery with HPC and AI
Explore how advancements in computing are accelerating the next frontier of scientific breakthroughs.
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Research
First GPT-4-powered AI lab assistant independently directs key organic reactions
Large language model takes control after being prompted to do Suzuki and Sonogashira couplings
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Research
Computer vision accelerates self-driving reaction workups from being automated to autonomous
Platform understands significance of solid residues, liquid levels, homogeneity, turbidity and colours
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Research
AI flies solo to optimise an organic photovoltaic device
High-throughput workflow guided by artificial intelligence identifies parameters to maximise power conversion efficiency