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Jan 20, 2025
Recently, a collaborative team led by Professor Mo Fanyang from our institute and Professor Zhang Dongxiao from East China University of Technology has, for the first time, clearly revealed the quantitative relationship between Thin-Layer Chromatography (TLC) and Column Chromatography (CC) by combining statistical and machine learning methods. This study proposes a knowledge discovery technique...
Jan 18, 2025
The 2024 Nobel Prizes in Physics and Chemistry both went to the field of AI. The former highlighted "how Science is applied and transforms AI", while the latter emphasized "how AI transforms science and people's perception", pushing the research heat of AI for Science (AI4S) to a new high. As it becomes a cutting-edge trend in academia, AI4S is driving a revolution in the scientific research pa...
Jan 4, 2025
As a key spectroscopic technique,electronic circular dichroism (ECD)offers advantages such as low sample consumption and easy measurement. It has important and extensive applications in fields like asymmetric catalysis, functional materials, and drug discovery, becoming a powerful tool for exploring the absolute spatial configuration of chiral molecules. However, theoretical calculations of cir...
Dec 26, 2024
In recent years, artificial intelligence (AI) technology has played a key role in drug design, particularly in predicting Protein-Ligand Binding Affinity (PLA), Drug-Drug Interactions (DDI), compound properties, and compound retrosynthetic design. These applications have accelerated the screening of potential drugs from vast chemical spaces. The team led by Chen Yuqian — Researcher at Peking U...
Dec 24, 2024
Recently, Chen Yuqian — Director of the AI4S Platform Center at the School of Information Engineering and Joint Researcher at the School of Chemical Biology and Biotechnology, Peking University Shenzhen Graduate School — was invited to publish a review focusing on the empowerment of artificial intelligence (AI) in traditional Chinese medicine (TCM) research. The review summarizes over two dec...
Mar 25, 2024
On March 22, 2024, the kickoff meeting for the first batch of AI4S projects was successfully held at Peking University Shenzhen Graduate School. Academician Zhang Jin, Member of the Standing Committee of the Party Committee, Vice President of Peking University, and Dean of Shenzhen Graduate School; Mr. Chen Shangyi, Chairman of Baidu Technology Committee; Mr. Huang Youyuan, Vice Chairman of BET...

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