AIMC Topic: Drug Development
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The latest advances with natural products in drug discovery and opportunities for the future: a 2025 update.
Expert opinion on drug discovery
Jun 5, 2025
INTRODUCTION: The landscape of drug discovery is rapidly evolving, with natural products (NPs) playing a pivotal role in the development of novel therapeutics. Despite their historical significance, challenges persist in fully harnessing their potent...
Evaluating the Impact of AI-Based Model-Informed Drug Development (MIDD): A Comparative Review.
The AAPS journal
Jun 2, 2025
Model-informed drug development (MIDD) methods play critical role to ensure development of efficacious, and safe individualized therapies. The application of artificial intelligence/machine learning (AI/ML) within the field of drug development has ex...
Bulk Measurement of Membrane Permeability for Random Cyclic Peptides in Living Cells to Guide Drug Development.
Angewandte Chemie (International ed. in English)
Jun 1, 2025
Cyclic peptides are attractive for drug discovery due to their excellent binding properties and the potential to cross cell membranes. However, by far, not all cyclic peptides are cell permeable, and measuring or predicting their membrane permeabilit...
Role of artificial intelligence in cancer drug discovery and development.
Cancer letters
May 23, 2025
The role of artificial intelligence (AI) in cancer drug discovery and development has garnered significant attention due to its potential to transform the traditionally time-consuming and expensive processes involved in bringing new therapies to mark...
Bioactive components of Jiedu Sangen decoction against colorectal cancer: A novel and comprehensive research strategy for natural drug development.
Phytomedicine : international journal of phytotherapy and phytopharmacology
Apr 21, 2025
BACKGROUND: Jiedu Sangen Decoction (JSD) is widely used in the treatment of colorectal cancer (CRC) patients in southern China due to its good clinical efficacy, but the effective active ingredients are still unknown.
Advances in artificial intelligence-envisioned technologies for protein and nucleic acid research.
Drug discovery today
Apr 17, 2025
Artificial intelligence (AI) and machine learning (ML) have revolutionized pharmaceutical research, particularly in protein and nucleic acid studies. This review summarizes the current status of AI and ML applications in the pharmaceutical sector, fo...
Artificial intelligence in preclinical research: enhancing digital twins and organ-on-chip to reduce animal testing.
Drug discovery today
Apr 17, 2025
Artificial intelligence (AI) is reshaping preclinical drug research offering innovative alternatives to traditional animal testing. Advanced techniques, including machine learning (ML), deep learning (DL), AI-powered digital twins (DTs), and AI-enhan...
Addressing Imbalanced Classification Problems in Drug Discovery and Development Using Random Forest, Support Vector Machine, AutoGluon-Tabular, and H2O AutoML.
Journal of chemical information and modeling
Apr 15, 2025
The classification models built on class imbalanced data sets tend to prioritize the accuracy of the majority class, and thus, the minority class generally has a higher misclassification rate. Different techniques are available to address the class i...
AI drug development's data problem.
Science (New York, N.Y.)
Apr 10, 2025
The future of drug discovery may be artificial intelligence (AI), but its present is not. AI is in its infancy in the field. To help AI mature, developers need nonproprietary, open, large, high-quality datasets to train and validate models, managed b...
Synthetic Data in Healthcare and Drug Development: Definitions, Regulatory Frameworks, Issues.
CPT: pharmacometrics & systems pharmacology
Apr 7, 2025
With the recent and evolving regulatory frameworks regarding the usage of Artificial Intelligence (AI) in both drug and medical device development, the differentiation between data derived from observed ('true' or 'real') sources and artificial data ...
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