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. This webinar session reveals the answers to the most important questions in chemistry related automation today
SmartChemistry brings the power of AI and machine learning into your lab
Digital chemistry technologies provide the tools to accelerate your research
ResearchAntibiotics designed with the help of AI attack bacteria in entirely new ways
Two new compounds display potent activity against deadly drug-resistant bacteria
ResearchAI tools turned to creating designer proteins for personalised cancer therapies and antibiotics
Powerful new class of AI model could dramatically speed up process of producing new kinds of drug candidates
ResearchLLMs could rewrite how AIs predict reactions and plan syntheses
Chemists welcome approach but warn that unthinking dependence on AI should be avoided
NewsAs AI-designed drug looks to pass final hurdle, will this tech change drug discovery forever?
AI-led drug for chronic lung disease set to enter phase 3 clinical trials, though experts remain divided on AI’s impact in pharma
Research‘CrystalGPT’ set to enhance how chemists design crystals in silico
Model for predicting molecular crystal properties is readily adaptable to specific tasks, even with limited data
ResearchAn overlooked bonding motif appears in many more proteins than was previously realised
Covalent nitrogen–oxygen–sulfur linkages could be a new target for potential drugs
ResearchAI predicts transition states with exceptional precision
Model can complete tasks in under a second that take conventional methods hours
OpinionWe need to build the data that chemistry deserves - here’s how we can do it
Creating a purpose-built repository of standardised reaction data is a tall order, but the reward would be huge
BusinessFree energy methods and digital transformation of drug discovery
Synergistic application of AI-based generative chemistry and free energy methods streamlines molecule discovery and optimisation
FeatureCrystal clear structure prediction
As the clouds clear on computational crystal structure prediction, is the technique ready to empower mainstream materials research? James Mitchell Crow reports
ResearchAI takes step towards cracking biology’s toughest problem – protein sequencing
The team hopes the system will eventually be as influential as AlphaFold was for protein structure prediction
ResearchRobot ramps up accuracy of AI salt stain identifier
Database with three times as many images as before boosts accuracy of technique to almost 99%
ResearchAI inspired by AlphaFold can predict chromatin structures found in chromosomes
System could help unravel how genome folding influences genes
NewsPublishers need to provide guidelines on use of AI in research, says Wiley
Feedback from almost 5000 researchers helped inform publishing giant’s report
ResearchGenerative AI pipeline creates promising antimicrobial peptides
AI model extrapolates beyond training data to predict diverse antimicrobial structures
News‘Chemistry will no longer be an exclusive club’: how AI is changing Omar Yaghi’s work
UC Berkeley’s reticular chemistry pioneer tells us about his new institute using AI to tackle climate change
ResearchHow AI is transforming chemistry research
Artificial intelligence is revolutionising everything from workflows to networking - so how can you bring AI into your research practice?
OpinionRobots queuing up to fail
Claims of an AI revolution in drug discovery are missing the biggest problem
ResearchAI can tell Scottish and American whiskies apart
Machine-learning method identifies prominent aromas
ResearchChemists 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