All Computational Techniques articles
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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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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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ArticleBeyond serendipity: rational design and AI’s expansion of the undruggable target landscape
For decades, drugging the ‘undruggable’ was thought to require luck rather than logic. Today, AI is transforming serendipity into strategy by enabling rational, data-driven approaches to previously inaccessible targets.
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ArticleComputational design drives new generation of synthetic promoters
Designing gene control from scratch is becoming possible. SynGenSys is using computational design to create synthetic promoters for advanced therapies.
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InterviewPhysics-based modelling offers a new way to study drug targets
Australian start-up OmnigeniQ has demonstrated what it describes as the first deterministic, physics-based computation of a human protein in its native state.
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InterviewFrom scientist to bioinformatician: how AI coding tools dissolved the activation energy barrier
A biotech CEO with decades of scientific experience but sporadic coding practice gained practical bioinformatics capabilities in six weeks using AI coding assistants.
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NewsNew target found for glaucoma treatment
Scientists have discovered that specialised immune cells in the eye help keep its drainage system clear and regulate pressure, which could inform new treatments for glaucoma.
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ArticleWorld ADC 2026: where antibody-drug conjugates are heading
At World ADC London 2026, experts highlighted how advances in payload design, targeting strategies and AI-driven discovery are changing antibody–drug conjugate development.
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NewsNew AI tool could accelerate drug discovery and cut lab costs
Scientists have developed a machine learning system that can predict how complex chemical reactions will produce the correct molecular form for medicines.
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ArticleWhy most labs are not ready for AI: Cenevo shares what must change
Most labs want to use AI, but few have the digital foundations to support it. Cenevo’s leaders explain why progress is slow and what laboratories must fix before AI can deliver real value.
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ArticleVibe coding 101 for drug discovery scientists
Find out how AI-assisted development is democratising software creation in life sciences.
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OpinionAI in drug discovery: predictions for 2026
As AI drug discovery enters 2026, the industry faces a pivotal year of clinical tests, regulatory clarity, and market consolidation. Here, Dr Raminderpal Singh examines where AI is delivering measurable gains in early discovery, where hype outpaces reality and why Phase III results will determine whether the technology can truly ...
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ArticleAI begins to enter Alzheimer’s drug discovery pipelines
Artificial intelligence is increasingly used to analyse large, multimodal Alzheimer’s datasets and inform target discovery and trial design. A new JPAD special issue highlights how these methods are moving from experimentation towards practical application in drug discovery.
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NewsNew paper warns against phasing out animal testing too quickly
A push by the US Food and Drug Administration to phase out animal testing in drug development could improve efficiency and reduce animal suffering, but experts warn that moving too quickly may pose risks to patient safety.
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NewsTargeting cPLA2 enzyme may reduce brain inflammation in Alzheimer’s
Researchers have identified new drug candidates that selectively target the cPLA2 enzyme, a key driver of brain inflammation linked to Alzheimer’s disease, offering a potential new approach to reducing risk in people with the APOE4 gene.
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NewsNew generative AI method could make drug discovery faster
A newly developed AI-driven technique could dramatically speed up the discovery of drugs and advanced materials, enabling scientists to design chemically valid, property-targeted molecules in minutes rather than years.
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Article2026: the year AI stops being optional in drug discovery
AI is moving from a supporting role into the core of drug discovery. By 2026, it is expected to shape how targets are chosen, how biology is analysed and how development decisions are made.
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Newsinsitro expands AI drug discovery with CombinAbleAI acquisition
insitro has acquired Israeli AI therapeutics company CombinAbleAI and launched its TherML platform, creating an end-to-end, modality-agnostic system for designing small molecules, antibodies, oligonucleotides and other complex biologics.
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NewsNew study revives long-doubted target for depression drugs
Researchers have shown that changing the molecular structure of NK1 receptor antagonists may restore antidepressant effects after decades of failed trials.
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ArticleAI steps into drug safety: predicting liver injury earlier than ever before
Drug-induced liver injury remains one of drug development’s most costly pitfalls. Now, AI and transcriptomics may offer a way to spot risks long before they reach patients.