Machine learning – Page 2
-
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
-
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
-
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
-
ResearchMachine learning tool fed red wines’ chemical profiles can deduce where they’re from
Statistical tool matches wines to their estates with 100% accuracy
-
ResearchRobotic chemistry lab joins forces with Google AI to predict then make new inorganic materials
Algorithm discovered more than 2 million inorganic structures
-
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
Learn how machine learning based simulations with Matlantis help rationalise long-time CO₂ storage experimental results
-
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
-
Research86-year old Hammett equation gets a machine learning update
Algorithm opens the door to improved understanding of aromatic substituent effects
-
CareersWorking at the forefront of AI
Petrina Kamya’s curiosity has led her across sectors to become a leader in drug discovery
-
ArticleA three step strategy to make your research more sustainable
How chemistry data can make your reactions greener
-
ResearchMachine learning ecosystem evolves MOF design
Mofdscribe handles all stages from collecting data to evaluating performance
-
ResearchAI identifies molecules from their featureless visible spectrum
Forget about trying to interpret peaks and let machine learning identify organic compounds from their entirely smooth visible spectrum
-
ResearchDataset with millions of entries set to help AI find new drugs
Neural networks perform better when trained on larger datasets
-
FeatureChanging the game in protein structure prediction
Have AlphaFold and other machine learning techniques essentially solved the formerly fiendish problem, or is there still more to be done? Clare Sansom reports