研究方向介绍
我们专注于前沿药物研发与诊疗材料创新，结合人工智能技术，开展从分子设计到临床应用的全链条研究。以下是我们的主要研究方向。
专注于小分子药物的创新研发，涵盖靶向抗癌药物设计、关键中间体工艺优化及多晶型研究，致力于开发高效低毒的新型治疗药物。
1. 分子靶向抗癌新药的研发 - 针对特定癌症靶点设计高选择性小分子抑制剂，进行构效关系研究及活性优化。
2. 新药关键中间体的工艺研发 - 开发绿色、高效的合成路线，优化反应条件，实现关键中间体的规模化制备。
3. 新药多晶型的研发 - 研究药物的不同晶型状态，筛选优势晶型，改善药物的溶解度、稳定性及生物利用度。
小分子药物结构研究与分析
开发新型诊疗一体化材料与技术，通过分子工程手段设计智能响应材料，实现疾病的精准诊断与高效治疗。
靶向诊疗材料分子设计
诊疗一体化材料应用研究
结合人工智能与机器学习技术，加速新型多孔材料（MOFs/HOFs）的发现与设计，预测材料性能并指导合成路线。
AI辅助多孔材料设计与预测
合作与交流
我们积极与国内外顶尖研究机构、医院及制药企业合作，推动基础研究成果向临床应用的转化。
欢迎对药物研发、材料科学及人工智能交叉领域感兴趣的研究生、博士后加入我们的团队！
Research Programs
We focus on cutting-edge drug development and innovative diagnostic/therapeutic materials, integrating artificial intelligence technology to conduct full-chain research from molecular design to clinical applications. Below are our main research programs.
Specializing in innovative research and development of small molecule drugs, covering targeted anticancer drug design, key intermediate process optimization, and polymorph research, dedicated to developing new therapeutic drugs with high efficacy and low toxicity.
1. Development of Targeted Anticancer Drugs - Design highly selective small molecule inhibitors targeting specific cancer, conduct structure-activity relationship studies and activity optimization.
2. Process Development of Key Drug Intermediates - Develop green and efficient synthetic routes, optimize reaction conditions, and achieve scalable preparation of key intermediates.
3. Research on Drug Cocrystals - Study different crystalline coforms of drugs, screen advantageous cocrystals to improve drug solubility, stability, and bioavailability.
Small Molecule Drug Structure Research and Analysis
Developing new theranostic integrated materials and technologies, designing smart responsive materials through molecular engineering approaches to achieve precise diagnosis and efficient treatment of diseases.
1. Molecular Engineering of Novel Drug Delivery Materials - Design nanocarrier materials with targeting capabilities and stimulus-responses to improve drug delivery efficiency and reduce side effects.
2. Theranostic Integration of Novel Porous Materials - Construct functionalized porous materials that integrate diagnostic imaging and therapeutic functions for real-time monitoring and precise treatment.
Molecular Design of Targeted Theranostic Materials
Application Research of Theranostic Integrated Materials
Combining artificial intelligence and machine learning technologies to accelerate the discovery and design of novel porous materials (MOFs/HOFs), predict material properties, and guide synthetic routes.
1. Metal-Organic Framework Structure Generation and Property Prediction - Use AI algorithms to design novel MOF structures and predict their properties such as gas adsorption, catalysis, and drug loading capacity.
2. Hydrogen-Bonded Organic Framework Database Construction, Structure and Synthesis Prediction - Build specialized HOFs databases and develop models to predict stable structures and feasible synthesis pathways.
AI-Assisted Porous Material Design and Prediction
Collaboration & Exchange
We actively collaborate with leading research institutions, hospitals, and pharmaceutical companies both domestically and internationally to promote the translation of basic research findings into clinical applications.
We welcome graduate students and postdoctoral researchers interested in the intersection of drug development, materials science, and artificial intelligence to join our team!
