平台简介 Introduction

综合利用基于人工智能的药物发现方法和实验方法，对从靶点发现、先导化合物发现和设计，到化合物合成、筛选、性质分析，以及进一步优化改造等创新药物早期研发全流程提供有效解决方案。

Provide effective solutions for the entire early-stage drug development process of innovative drugs, from target identification, lead compound discovery and design, to compound synthesis, screening, property analysis, and further optimization and modification, by integrating AI-based drug discovery methods and experimental approaches. 

研究方向及合作领域 Research Direction and Collaboration Areas

• 基于深度学习方法的分子生成 Deep learning-based molecular generation methods
• 基于结构的药物设计和发现 Structure-based drug design and discovery
• 基于质谱的化合物筛选 Mass spectrometry-based compound screening
• 中药活性成分的分离和药理药效评价 Separation and pharmacological and efficacy evaluation of active ingredients in traditional Chinese medicine
• 代谢性疾病的药物发现 Drug discovery for metabolic diseases
• 神经退行性疾病的药物发现 Drug discovery for neurodegenerative diseases
• 基于连续流技术的药物合成路线优化 Optimization of drug synthesis routes based on continuous flow technology

核心技术手段 Core Technological Methods

生物亲和质谱技术 

Bioaffinity mass spectrometry

磁珠生物亲和分离技术

Magnetic Bead-based Biomolecular Affinity Separation Technology

AI-driven分子生成

AI-driven Molecular Generation

基于结构的药物设计

Structure-based Drug Design