Collections
AI and automation
In this collection, we explore the latest developments in artificial intelligence (AI) and automation, covering technologies and applications such as machine learning, robotics, laboratory automation and data analysis, and their impact on chemistry research, the profession, and chemistry-using industries.
Highlights
The robots revolutionising chemistry
Researchers working with automated systems are pushing the boundaries of what chemists can achieve in the lab, reports James Mitchell Crow
What does AI mean for chemistry?
Phil Ball looks at whether letting machines do our thinking for us will change our understanding of chemistry itself
How to automate your lab
Whether it’s robots, automation or software hacks, Nessa Carson finds ways for everyone to improve how they work in the lab
The psychology of our future with AI
It’s time to accept that digitalisation is changing laboratory work, and embrace the opportunity
Encoding creativity in drug discovery
Machine learning can complement and reinforce human intuition and experience
How will AI and automation change chemistry?
It’s going to change our lives. But it’s not clear in what ways
You don’t need coding to be a chemist
Writing your own software can be useful, but what matters is knowing how to use it
Robots in the lab – learn how automation can streamline your workflow
The future of lab automation is promising. Join us to find out answers to the most important questions, and to contribute your knowledge and experience to the discussion.
SmartChemistry brings the power of AI and machine learning into your lab
Digital chemistry technologies provide the tools to accelerate your research
ResearchAlgorithm designs proteins from scratch that can bind drugs and small molecules
Strategy could stop an overdose or produce an antidote to a poison
ResearchBrewing better Belgian beer with artificial intelligence
Machine learning tool can predict a beer’s taste and quality and which flavour compounds could improve it
ResearchAI 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
ResearchGPT-3 trained and tuned to predict molecular properties
A better understanding of Smiles helps GPT-3 recognise chemically relevant patterns
ArticleMicrosoft’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
ResearchNew analysis raises doubts over autonomous lab’s materials ‘discoveries’
Experimental and computational issues flagged as researchers conclude that a fully automated lab failed to make new materials
WebinarAccelerating materials discovery with HPC and AI
Join us to explore how advancements in computing are accelerating the next frontier of scientific breakthroughs.
ResearchFirst 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
ResearchComputer vision accelerates self-driving reaction workups from being automated to autonomous
Platform understands significance of solid residues, liquid levels, homogeneity, turbidity and colours
ResearchAI flies solo to optimise an organic photovoltaic device
High-throughput workflow guided by artificial intelligence identifies parameters to maximise power conversion efficiency
OpinionOne 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
NewsArtificial intelligence could ‘revolutionise’ chemistry but researchers warn of hype
Survey of European scientists sees them stress the importance of human experts in chemical research
NewsLandmark 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
ResearchMachine learning tool fed red wines’ chemical profiles can deduce where they’re from
Statistical tool matches wines to their estates with 100% accuracy
WhitepaperAccelerating 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
ResearchRobotic chemistry lab joins forces with Google AI to predict then make new inorganic materials
Algorithm discovered more than 2 million inorganic structures
NewsFuture 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
NewsFighting fire with fire: AI can detect phony AI-generated chemistry papers
AI detector created can distinguish human-written chemistry papers from ChatGPT-authored ones with 98–100% accuracy
ResearchFleeting phenomenon of water autoionisation pinned down by neural network simulations
Modelling sheds light on a process that has been known for over a century but was tricky to understand
OpinionSlow march of the retrosynthesis robots
Software synthesis suggestions are hampered by biased and incomplete datasets
WebinarCO₂ storage, magic doors and machine learning
Join us on 22 November to learn how machine learning based simulations with Matlantis help rationalise long-time CO₂ storage experimental results
NewsChina considers stripping degrees from academics who misuse AI
Current and former university students in China shown to have used artificial intelligence tools to write dissertations could get degrees revoked
CareersHow to use large language models in chemistry
Five ways that chemists can use GPT-4 and other generative AI tools
WebinarData-driven materials innovation: where machine learning meets physics
Speed up materials innovation, save time & cost by leveraging a combination of physics-based simulations and chemistry-informed machine learning