All Computational Techniques articles – Page 4
-
ArticleThe science behind the systematic discovery of molecular glues
For decades, molecular glues have been stumbled upon rather than designed. A new scientific approach is now changing that – expanding what is considered druggable.
-
ArticleMaking sense of AI: bias, trust and transparency in pharma R&D
AI is increasingly used in drug discovery, but hidden bias and ‘black box’ models threaten trust and transparency. This article explores how explainable AI can turn opaque predictions into clear, accountable insights.
-
NewsAI designs new antibiotics to take on drug-resistant superbugs
Penn engineers have built an AI model that creates new antibiotics – and early tests show some work as well as existing approved drugs.
-
ArticleAnimal-free drug discovery is closer with QSP
Quantitative Systems Pharmacology (QSP) is fast becoming a standard tool in drug development, offering a human-relevant way to predict drug effects before the clinic. Dr Josh Apgar of Certara explains how it is helping to cut reliance on animal testing and speed discovery.
-
ArticleBeyond the hype: a veteran’s honest assessment of AI in drug discovery – Part 3
AI is starting to transform drug discovery, but progress is still slow and big challenges remain. Thibault Géoui explores the gaps, hurdles and breakthroughs needed before it can truly change pharma R&D.
-
ArticleBeyond the hype: a veteran's honest assessment of AI in drug discovery - Part 2
Thibault Géoui explains why AI could finally help pharma overcome its productivity crisis and why the payoff won’t come as quickly as the optimists claim.
-
NewsStriosomes may hold the key to better treatments for mental disorders
Scientists have developed a new computational model that reveals how the striosomal compartment of the brain’s striatum influences decision-making – which could lead to improved therapies for psychiatric disorders.
-
ArticleHow AI is quietly changing drug manufacturability
AI is moving beyond drug design to answer a critical question: can a promising compound actually be manufactured at scale? By predicting synthetic feasibility early, machine learning tools are helping drug developers avoid costly failures, streamline R&D and design molecules that are both effective and practical to produce.
-
ArticleFixing failed drugs: AI solutions for toxicity in drug discovery – part 3
What role could large language models and AI agents play in drug safety? In Part 3, Layla Hosseini-Gerami of Ignota Labs discusses how emerging technologies might make toxicity analysis faster, more accessible and part of the drug discovery workflow from day one.
-
NewsNew AI model PROTsi identifies aggressive tumours using protein markers
Researchers in Brazil and Poland have developed an AI-powered tool that predicts cancer aggressiveness by analysing protein expression - offering new insights into tumour behaviour.
-
ArticleFixing failed drugs: AI solutions for toxicity in drug discovery – part 2
Why do so many drug candidates fail before reaching patients – and can AI help stop the losses? In Part 2, Layla Hosseini-Gerami of Ignota Labs outlines the scope of the toxicity problem and explains why failures often come too late to fix.
-
ArticleFixing failed drugs: AI solutions for toxicity in drug discovery – part 1
Why do so many drug candidates fail before reaching patients – and can AI help stop the losses? In Part 1, Layla Hosseini-Gerami of Ignota Labs outlines the scope of the toxicity problem and explains why failures often come too late to fix.
-
ArticleWhat single cells are revealing about brain disorders
Single-cell and spatial technologies are giving researchers an unprecedented view of how brain diseases like Alzheimer’s really work. The result? Faster discovery, clearer targets and a new path towards more effective treatments.
-
NewsVirtual cell model rankings just got a major upgrade
Shift Bioscience has published a new study introducing enhanced metrics and baselines for evaluating virtual cell models - boosting gene target discovery and accelerating its rejuvenation therapeutics pipeline.
-
ArticleMachine Learning and AI in Enhancing Image Analysis of 3D Samples
Want to understand the real impact of AI in 3D sample analysis? This episode cuts straight to how machine learning is accelerating research and overcoming current limitations.
-
ArticleFuture-proofing drug development with GenAI
Using GenAI and expert reasoning, drug developers can now explore an asset’s long-term potential as early as the preclinical stage. This shift is helping to reshape pipeline planning and refine therapeutic strategy.
-
NewsProtein folding milestone achieved with quantum tech
Kipu Quantum and IonQ have set a new benchmark in quantum computing by solving the most complex protein folding problem ever tackled on quantum hardware – creating potential for real-world applications in drug discovery.
-
ArticleThe AI model that is changing clinical trial design
AI is changing how clinical trials are run - quietly but significantly. Find out how digital twins are helping sponsors reduce control arms and accelerate development without changing trial endpoints.
-
NewsBird flu is changing - AI might help us keep up
Researchers at the University of North Carolina at Charlotte have used artificial intelligence to look at how the H5N1 bird flu virus is evolving to evade the immune system - insights that could make way for development of effective future therapies.
-
NewsTurning AI into a biological design engine
DenovAI has unveiled a powerful AI-driven protein design platform capable of creating new, functional synthetic proteins from scratch - marking a big step forward for drug discovery.