AIMC Topic: Drug Discovery
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Computational Hit Finding: An Industry Perspective.
Journal of medicinal chemistry
Jun 12, 2025
Computational hit finding, particularly virtual screening, has been a mainstay of drug discovery campaigns for decades, providing a cost-efficient complement to wet experiments. Innovation in this space slowed considerably as these approaches converg...
Harnessing Medicinal Chemical Intuition from Collective Intelligence.
Journal of medicinal chemistry
Jun 12, 2025
Over the past decade, collective intelligence, i.e., the intelligence that emerges from collective efforts, has transformed complex problem-solving and decision-making. In drug discovery, decision-making often relies on medicinal chemistry intuition....
GICL: A Cross-Modal Drug Property Prediction Framework Based on Knowledge Enhancement of Large Language Models.
Journal of chemical information and modeling
Jun 9, 2025
Deep learning models have demonstrated their potential in learning effective molecular representations critical for drug property prediction and drug discovery. Despite significant advancements in leveraging multimodal drug molecule semantics, existi...
Comprehensive Drug-Likeness Prediction Using a Pretrained Transformer Model and Multitask Learning.
Journal of chemical information and modeling
Jun 9, 2025
Drug-likeness is essential in drug discovery, indicating the potential of a compound to become a successful therapeutic. However, existing rule-based and machine learning methods are limited by their reliance on hand-crafted features, poor generaliza...
Revolution of AAV in Drug Discovery: From Delivery System to Clinical Application.
Journal of medical virology
Jun 1, 2025
Adeno-associated virus (AAV) is a non-enveloped DNA virus infecting a wide variety of species, tissues, and cell types, which is recognized as a safe and effective method for delivering therapeutic transgenes. AAV vector is the most popular viral gen...
Advancements in Organoid-Based Drug Discovery: Revolutionizing Precision Medicine and Pharmacology.
Drug development research
Jun 1, 2025
Organoids, 3D cellular models derived from stem cells, have revolutionized drug testing by providing human-relevant systems for modeling diseases and testing drug efficacy. Unlike traditional 2D cell cultures or animal models, organoids closely resem...
Predicted and Explained: Transforming drug discovery with AI for high-precision receptor-ligand interaction modeling and binding analysis.
Computers in biology and medicine
Jun 1, 2025
The pharmaceutical industry faces persistent challenges in developing effective treatments for complex diseases, creating an urgent need for innovative approaches to accelerate drug discovery. A pivotal factor in this process is the accurate predicti...
MiRAGE-DTI: A novel approach for drug-target interaction prediction by integrating drug and target similarity metrics.
Computers in biology and medicine
Jun 1, 2025
MOTIVATION: Accurately predicting drug-target interactions (DTIs) is critical for accelerating drug discovery, repositioning, and development. Traditional experimental methods are often expensive and time-consuming, emphasizing the need for efficient...
A comprehensive update on the application of high-throughput fluorescence imaging for novel drug discovery.
Expert opinion on drug discovery
Jun 1, 2025
INTRODUCTION: High-throughput fluorescence imaging (HTFI) is revolutionizing drug discovery by enabling rapid and precise detection of biological targets and cellular processes. Recent advances in fluorescence imaging technologies now provide unprece...
Natural language processing in drug discovery: bridging the gap between text and therapeutics with artificial intelligence.
Expert opinion on drug discovery
Jun 1, 2025
INTRODUCTION: The field of Natural Language Processing (NLP) within the life sciences has exploded in its capacity to aid the extraction and analysis of data from scientific texts in recent years through the advancement of Artificial Intelligence (AI...
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