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Drug Effectiveness Assessment

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Do Larger Models Really Win in Drug Discovery? A Benchmark Assessment of Model Scaling in AI-Driven Molecular Property and Activity Prediction

Announce Type: replace Abstract: The rapid growth of molecular foundation models and large language models (LLMs) has encouraged a scale centred view of AI in drug discovery, in which larger pretrained models are expected to supersede compact cheminformatics models. We test this assumption across 26 ADME, toxicity and bioactivity endpoints, covering 165,541 endpoint level compound label records. The benchmark contains 78 endpoint and split entries evaluated under random, Murcko scaffold and...

arXiv CS 1d ago

Flu drugs might fight cognitive decline seen in HIV, early study hints

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Live Science 5d ago

UniD$^3$: A Knowledge Graph-Enhanced RAG Framework for Drug-Disease Discovery and Reasoning

Announce Type: new Abstract: Systematic characterization of drug-disease relationships is essential for drug discovery and repurposing, yet is hindered by the heterogeneity and rapid growth of biomedical literature. Existing datasets rely on labor-intensive curation and are often incomplete, while LLM-only approaches suffer from hallucination and weak evidence grounding. We introduce UniD$^3$, a unified framework that integrates Large Language Models with Knowledge Graph-enhanced...

arXiv CS 8d ago

Biotech takeover target Abivax sinks over 30% after bowel disease drug trial update

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CNBC 8d ago

A first-in-class pulsatile FXR agonist for bile-acid-related liver diseases

Abstract Nuclear receptors are central regulators of metabolism1, yet therapeutic strategies that enforce continuous receptor activation frequently lead to reduced efficacy and unacceptable toxicity. Here we report a first-principles drug design strategy that aligns pharmacokinetics with physiological signalling cycles. We developed linafexor, a potent non-bile-acid agonist of the farnesoid X receptor (FXR)2; it is engineered for rapid systemic clearance, which enables pulsatile receptor...

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Molecular glue degraders of HuR suppress BRAF-mutant colorectal cancer

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Nature 17h ago

Fluorescent nanosensor detects key gut biomarker in minutes for faster testing

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Phys.org 7d ago

Dad’s warning after son, 12, finally gets 'life-changing' Duchenne drug

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Daily Mirror 9d ago

RFK Jr’s FDA to study if abortion pill mifepristone is safe despite it being on market for over 25 years: report

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The Independent World 5d ago

Health authorities launch crackdown on illegal peptides, amid surge in use

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ABC Australia 10h ago