All Artificial Intelligence & Computational Tools articles
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NewsFramework proposed to advance plant-derived anti-inflammatory drug discovery
A review led by researchers at the Naval Medical University proposes a structured framework for evaluating plant-derived anti-inflammatory compounds, warning that pathway inhibition alone is insufficient evidence of direct molecular target engagement.
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ArticleStrong binding isn’t enough – why cellular target engagement matters
Promising compounds don’t always engage their targets in living cells. At ELRIG Drug Discovery 2026, Dr Joshua Sopp of Promega discusses why earlier cellular testing matters and how BRETSA could help researchers investigate new drug targets.
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ArticleHow AI is changing the way therapeutic antibodies are designed
What if researchers could design therapeutic antibodies instead of relying on screening millions of candidates? Generative AI is making this increasingly possible, offering new ways to tackle challenging targets.
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ArticleVirtual cells vs experimental models: which can you trust?
How reliable are AI virtual cells compared with experimental models? We examine what each can predict or measure, the evidence behind their reliability and their role in early drug discovery.
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NewsWhy aptamer cancer therapies are struggling to reach the clinic
Aptamers can recognise cancer-associated targets and deliver drugs directly to tumour cells. So why have so few reached the clinic? A new review examines the barriers to their development.
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ArticleScientists are already using AI agents. Most of what they learn goes unpublished.
Dr Raminderpal Singh speaks to Dr Srijit Seal about how AI agents are changing computational drug discovery, the impact on scientists’ daily work and why valuable findings remain unpublished.
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NewsSelf-driving labs and advanced cell models feature at ELRIG 2026
From self-driving laboratories to advanced cellular models, ELRIG Drug Discovery 2026 showcases technologies helping researchers generate better data, evaluate drug candidates and improve early discovery.
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ArticleFinding drug targets through the noise of complex disease
The strongest disease signal may not point to the best drug target. AI could help researchers identify what matters within complex biological networks.
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NewsELRIG Drug Discovery 2026 celebrates 20th anniversary at ExCeL London
ELRIG Drug Discovery 2026 returns to ExCeL London for its 20th year, with AI, automation and advanced cell models among the technologies set to feature across the two-day programme.
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InterviewA sceptical guide to AI agents in drug discovery
AI agents promise to transform drug discovery, but where do they really add value? Dr Eric Ma examines search, model choice, vendor lock-in and why scientific expertise matters more than ever.
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ArticleDrug discovery in Q3 2026 – what changed and why it matters
Agentic AI, ultralarge virtual screening, molecular glues and human-relevant models were among the key developments in early drug discovery during Q3 2026. Drug Target Review examines what changed, why it matters and what to watch heading into Q4.
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NewsAI consortium targets antibody developability prediction with 10,000-sequence dataset
A new industry consortium led by Ginkgo Datapoints and Apheris is assembling a 10,000-antibody dataset to train AI models that can flag developability problems earlier in the drug discovery pipeline.
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NewsMathematical model probes metals’ role in Alzheimer’s plaque formation
A mathematical framework simulates how metals such as copper and zinc interact with amyloid-beta, offering a new computational tool to explore plaque formation and potential therapeutic interventions in Alzheimer’s disease.
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ArticleAI agents vs scientists: what should we automate in drug discovery?
AI agents can search, analyse and plan across drug discovery workflows, but where should scientists hand over control? We examine what to automate, what to check and where human judgement matters most.
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ArticleWhy AI struggles with new drug targets – and how physics could help
Virtual screening can assess billions of compounds, but performance can fall on unfamiliar targets. Combining AI with molecular physics could help make predictions more reliable.
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NewsInsilico Medicine launches open-source AI longevity research toolkit
Insilico Medicine has published a Cell cover study introducing LongevityBench, a suite of specialised AI models and an autonomous agentic discovery platform.
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NewsMicroproteins emerge as potential new Alzheimer’s targets
Scientists at the Salk Institute have constructed a comprehensive atlas of previously uncharacterised microproteins in the human frontal cortex, identifying over 1,000 novel candidates.
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ArticleFast-tracking AI-designed binders with cell-free expression and SPR
AI can rapidly generate new protein binders, but wet-lab validation remains a major bottleneck. Combining cell-free protein synthesis with surface plasmon resonance (SPR) enables AI-designed antibody binders to be screened directly from crude extracts, bypassing lengthy cell culture and purification steps.
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NewsOutSee secures £50k innovate UK grant for AI target validation
UK genomics and drug discovery company OutSee has received £50,000 in Innovate UK funding to develop an agentic AI sub-system designed to automate the initial triage of drug targets identified by its Nomaly genomics engine.
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ArticleSix assay requirements every researcher using NAMs should know
As NAMs become more widely used in drug discovery, assays must meet the demands of more complex models. Discover six requirements for reliable, reproducible and biologically meaningful data.