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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NewsAI company will pay authors $1.5 billion in damages after using their copyrighted works to train its models
Academics set for payouts of $3000 for each book that was illegally downloaded
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ResearchNeural network trained to classify crystal structure errors in MOF and other databases
Study serves as a reminder that machine learning models are only as good as the data they are trained on
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NewsThe chemistry community should ban drawing chemical structures with generative AI, chemists warn
AIs like Microsoft’s Copilot, Google’s Gemini and OpenAI’s ChatGPT still make serious errors rendering structural formulae
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OpinionAI tools for chemistry aren’t the end, they are a means to a beginning
Is there life after death for the fields that fall to AI?
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NewsAI helps identify over 1000 dubious open-access journals from screen of 15,000 titles
Program compares favourably with human integrity experts
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ResearchModelling suggests waste heat from AI data centres could power carbon capture and water purification
Analysis considering thermodynamics, economics and emissions shows how AI could flip its environmental footprint to become both water-positive and carbon-negative
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ResearchAntibiotics designed with the help of AI attack bacteria in entirely new ways
Two new compounds display potent activity against deadly drug-resistant bacteria
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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
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ResearchLLMs could rewrite how AIs predict reactions and plan syntheses
Chemists welcome approach but warn that unthinking dependence on AI should be avoided
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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
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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
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ResearchAI predicts transition states with exceptional precision
Model can complete tasks in under a second that take conventional methods hours
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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
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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
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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
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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%
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ResearchAI inspired by AlphaFold can predict chromatin structures found in chromosomes
System could help unravel how genome folding influences genes
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NewsPublishers need to provide guidelines on use of AI in research, says Wiley
Feedback from almost 5000 researchers helped inform publishing giant’s report