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.
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
ResearchAI can tell Scottish and American whiskies apart
Machine-learning method identifies prominent aromas
NewsChemists use AI to uncover pigments used on Berlin Wall murals
Researchers hope work will help to preserve this art
ResearchGPT-based AI tool predicts inorganic crystal structures
CrystaLLM uses GPT to arrange atoms, turning text-based data into numerical tokens
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’
WhitepaperDigital tools for deft materials development
Discover how Microsoft can help you turn years of lab work into days of computation
ResearchAI tool learns to build molecules fragment by fragment
Software tasked with designing a type-II kinase inhibitor suggests 97 candidates in 10 minutes, three of which were both synthesisable and effective at micromolar and nanomolar concentrations
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
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?
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
OpinionCan the work of Professor R Obot be beautiful too?
The rise of AI raises questions about how we judge results
OpinionDid AI just win the Nobel prizes in physics and chemistry?
The importance of the expert eye in scientific progress
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
OpinionThis year’s chemistry Nobel proves it’s hard to make predictions
It’s been a long journey from the myoglobin model
NewsTwenty ways AI is advancing chemistry
List reveals how machine learning is already changing the central science
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
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
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’
NewsPhysics Nobel prize goes to artificial neural networks and machine learning
Research inspired by how brains learn now powers cutting-edge technology in smartphones and scientific research
OpinionLessons from a Nobel laureate teach us how to think better
In a world of AI, chemists need statistical thinking
WebinarPurposeful simulation: Maximising impact in surface chemistry modelling
Learn how to select appropriate computational models to deliver impact in surface chemistry research
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
ResearchElectrochemical series for materials makes predicting oxidation states easy
Machine-learning trained model could open up new opportunities in materials discovery
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
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