AI-driven multi-scale target analysis of traditional Chinese medicine: From the pharmacological effects of single compounds to the synergistic mechanisms of formulae - PubMed
3 hours ago
- #AI in Traditional Chinese Medicine
- #Synergistic Mechanisms
- #Multi-scale Target Analysis
- Introduces an AI-driven framework for multi-scale target analysis of Traditional Chinese Medicine (TCM), covering single compounds (SC), Chinese medicinal materials (CMM), and Chinese medicine formulae (CMF).
- Aims to address the complexity and standardization challenges in TCM by using AI to integrate hierarchical data across scales, facilitating holistic understanding and mechanism elucidation.
- Highlights how targets at the SC level can inform synergistic networks in CMM, which then contribute to understanding multi-target mechanisms in CMF, enabling intelligent formula recommendation and dosage prediction.
- Discusses challenges like the 'semantic gap' between TCM theories and molecular data, advocating for a 'computation-experiment' closed loop for validation.
- Proposes future directions, including developing TCM-specific large language models (LLMs) to decode pharmacological logic and support scientific validation and global integration.