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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Webinar
AI meets chemistry: Standigm’s breakthrough with Synthia Retrosynthesis Software
Join us 26 September to 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 - join us live 2 October
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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
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Opinion
One year on from ChatGPT’s launch does it offer hope or hype for science?
Chatbots could help chemists but their limitations need to be understood
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News
Artificial intelligence could ‘revolutionise’ chemistry but researchers warn of hype
Survey of European scientists sees them stress the importance of human experts in chemical research
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News
Landmark intellectual property ruling could offer new opportunities for chemists working with AI
UK court’s decision that an artificial neural network can be patented could have widespread ramifications
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Whitepaper
Accelerating scientific discovery with cutting-edge computing
Learn how to accelerate discovery in chemistry and materials science by integrating the latest breakthroughs in High-performance computing, AI and quantum computing
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Research
Robotic chemistry lab joins forces with Google AI to predict then make new inorganic materials
Algorithm discovered more than 2 million inorganic structures
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News
Future House wants to build an AI biologist. They’re looking to a chemistry LLM for inspiration
ChemCrow has already recorded success researching, designing and producing an insecticide on its own