All Artificial Intelligence & Computational Tools articles
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ArticleWhy intracellular targets remain a major drug discovery challenge – and how they’re becoming druggable
Many biologically important intracellular targets remain difficult to drug. Dr Rab Prinjha examines how screening within living cells could help tackle them.
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ArticleReducing drug development failures with human-relevant models and AI
Professor Joseph C. Wu of Stanford University explains how stem cells, human-relevant models and AI are helping researchers predict which drug candidates are most likely to succeed before clinical trials.
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NewsAI designs functional bacteriophage genomes to overcome bacterial resistance
Scientists have used artificial intelligence to design complete, functional bacteriophage genomes from scratch, with engineered phages capable of overcoming resistance in bacteria that had defeated naturally occurring viruses — marking a significant step towards AI-driven whole-genome engineering.
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ArticleWhy single-cell foundation models have underdelivered and what drug discovery needs instead
Foundation models have delivered breakthroughs in protein biology, but single-cell models have struggled to match them. What is holding them back?
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NewsAI and genetics identify WNK2 inhibitor for osteoarthritis treatment
Researchers at University of Utah Health have used artificial intelligence and human genetic data to identify a promising early-stage drug candidate targeting WNK2, a protein linked to inherited osteoarthritis, with the lead compound reducing inflammatory gene activity and supporting cartilage cell health in laboratory models.
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NewsWhat Google’s AI talent exodus could mean for future drug discovery
The departure of leading AI researchers from Google to found Discovery Loop raises important questions about the future direction of artificial intelligence in scientific research and drug development.
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NewsGlymphatic gene therapy platform targets brain’s glial cells precisely
A new gene therapy platform exploiting the brain’s glymphatic transport system and engineered AAV5 vectors could offer a targeted treatment route for multiple sclerosis, Huntington’s disease and rare white matter disorders.
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NewsInsilico Medicine launches AI drug discovery benchmarking platform
Insilico Medicine has unveiled a benchmarking platform designed to assess whether AI models can perform genuine drug discovery tasks, using decontaminated real-world datasets and proprietary validated programmes to move beyond inflated benchmark scores.
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ArticleAI’s promise and practical limits in drug discovery
From ChatGPT to AI agents and world models, where is AI really heading in drug discovery? Dr Raminderpal Singh explains what researchers should focus on now.
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News3D genome reorganisation identified as Alzheimer’s disease molecular hallmark
An international study combining single-cell genomics, spatial transcriptomics and artificial intelligence has identified large-scale changes in three-dimensional genome organisation in Alzheimer’s-affected brain cells, establishing chromatin architecture as a previously overlooked component of the disease’s molecular pathology and a potential framework for future therapeutic targeting.
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ArticleMaking historical toxicology data work harder in safety assessment
Historical toxicology data is often underused. Find out how Virtual Control Groups and AI could help researchers strengthen safety assessment while making better use of existing data.
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NewsNew drug SB-0110 targets levodopa’s two biggest clinical limitations for Parkinson’s
A computational biology-derived compound has shown promise in preclinical models by simultaneously improving levodopa response and reducing dyskinesia — two of the most significant challenges in long-term Parkinson’s disease management.
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ArticleAI’s real value in drug discovery may be choosing the right experiment
AI is becoming more capable, but its value still depends on the data, questions and decisions behind it. Where is it genuinely improving drug discovery and where do the limitations remain?
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NewsAccessible multiplex imaging workflow advances spatial liver disease research
A new multiplex immunofluorescence workflow using standard laboratory equipment and open-source software enables detailed spatial analysis of liver tissue, organoids and organ-on-a-chip models, lowering barriers to advanced spatial biology in hepatology research.
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NewsLargest chemical reactions database launched to boost AI drug discovery
Researchers at the University of Michigan have assembled a database of more than 50,000 chemical experiments, offering AI systems an unprecedented resource to accelerate drug discovery and reduce reliance on scarce precious metal catalysts.
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NewsAI uncovers antimicrobial peptides hidden within prion proteins
Researchers at the University of Pennsylvania have used artificial intelligence to identify a new class of antimicrobial peptides within prion proteins, traditionally associated with neurodegenerative disease. The discovery reveals 1,179 potential antibiotic candidates, with laboratory and animal studies confirming activity against drug-resistant bacterial strains.
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ArticleDrug development has changed. Bioanalysis is changing with it
As drug developers pursue increasingly complex therapies, traditional bioanalytical approaches are being put to the test. How is the field adapting to meet these new demands?
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NewsEuropean initiative aims to bring molecular dynamics into mainstream drug discovery
What if the vast amounts of data generated by molecular dynamics simulations could be routinely shared and reused? A new €10 million European initiative aims to do just that, helping researchers gain a deeper understanding of protein behaviour and drug-target interactions.
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ReportAI in Drug Discovery: Progress, Limits and What Comes Next
AI has attracted enormous investment across drug discovery, but major questions still remain around validation, reproducibility and real-world application. In our latest Beyond the Lab report, experts discuss where the technology is starting to influence discovery workflows – and where limitations continue to slow adoption.
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NewsELRIG announces keynote speakers for Drug Discovery 2026 conference in London
ELRIG has announced its keynote speaker programme for Drug Discovery 2026, with LifeArc’s Dr Sam Barrell CBE delivering the opening address.