Research Articles
Revolutionizing Drug Discovery: A 2025 Guide to AI/ML for Predicting Drug-Target Interactions
This article provides a comprehensive, state-of-the-art overview for researchers and drug development professionals on leveraging artificial intelligence and machine learning (AI/ML) to predict drug-target interactions (DTIs).
Accelerating Discovery: How AI Transforms Lead Optimization in Natural Product-Based Drug Development
This article explores the transformative integration of artificial intelligence (AI) in optimizing lead compounds derived from natural products (NPs) for drug discovery.
Graph Neural Networks for Herb-Target Prediction: Revolutionizing Traditional Medicine with AI
This comprehensive article explores the transformative role of Graph Neural Networks (GNNs) in predicting herb-target interactions, a critical task for modernizing Traditional Chinese Medicine and accelerating drug discovery.
Unlocking Nature's Pharmacy: How Deep Learning is Revolutionizing Virtual Screening for Natural Product Drug Discovery
This article provides a comprehensive exploration of the transformative role of deep learning (DL) in the virtual screening of natural products for drug discovery.
AI-Driven ADMET Prediction for Herbal Compounds: Accelerating Discovery and De-risking Development
This article provides a comprehensive analysis of how artificial intelligence (AI) and machine learning (ML) are transforming the prediction of Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) properties for herbal...
Large-Scale Molecular Docking for Natural Products: Strategies, Benchmarks, and AI-Driven Advances in Drug Discovery
This article provides a comprehensive guide for researchers and drug development professionals on implementing and optimizing large-scale molecular docking for natural product discovery.
Decoding Herbal Synergy: How AI is Revolutionizing the Mechanistic Understanding of Traditional Medicine Formulas
This article provides a comprehensive exploration of how artificial intelligence (AI) and machine learning (ML) are transforming the research into the mechanisms of action (MOA) of complex herbal formulas.
AI-Driven Drug Repurposing for Natural Products: Unlocking Hidden Therapeutic Potential
This article explores the transformative role of Artificial Intelligence (AI) in repositioning natural products for new therapeutic uses.
Multi-Omics Integration in Natural Product Research: A Comprehensive Roadmap from Gene Discovery to Clinical Translation
This article provides a comprehensive guide for researchers and drug development professionals on leveraging multi-omics data integration to revolutionize natural product discovery and development.
Decoding TCM Syndromes: An AI-Driven Exploration of Their Biological Basis and Modern Research Frontiers
This article provides a comprehensive analysis for researchers and pharmaceutical developers on how artificial intelligence (AI) is revolutionizing the scientific understanding of Traditional Chinese Medicine (TCM) syndromes.