作者：Huo, Jingfeng; Fu, Yue; Tang, Melody J.; Su, Ya; Hu, Shengkun; Liu, Peng; Dong, Guangbin
作者单位：University of Chicago; Merck & Company; Merck & Company USA; Pennsylvania Commonwealth System of Higher Education (PCSHE); University of Pittsburgh
摘要：Aromatic rings, also known as arenes, containing two or more adjacent different substituents are ubiquitously found in small-molecule drugs1. Strategies that can rapidly introduce diverse vicinal substituents to readily available precursors would greatly benefit the generation of analogues of biologically active compounds2, which, however, remain challenging to realize so far. The existing approaches for preparing vicinal difunctionalized arenes lack modularity, regioselectivity or generality....
作者：Liao, Hongguang; Hu, Sheng; Yang, Hu; Wang, Lei; Tanaka, Shinya; Takigawa, Ichigaku; Li, Wei; Fan, Hailong; Gong, Jian Ping
作者单位：Hokkaido University; Hokkaido University; University of Osaka; Central University of Finance & Economics; Hokkaido University; Kyoto University; Suzhou Laboratory; Hokkaido University; Shenzhen University
摘要：Data-driven methodologies have transformed the discovery and prediction of hard materials with well-defined atomic structures by leveraging standardized datasets, enabling accurate property predictions and facilitating efficient exploration of design spaces1, 2-3. However, their application to soft materials remains challenging because of complex, multiscale structure-property relationships4, 5-6. Here we present a data-driven approach that integrates data mining, experimentation and machine l...
作者：Jay, Ollie; Vanos, Jennifer; Gagnon, Daniel; Tartarini, Federico
作者单位：University of Sydney; Arizona State University; Arizona State University-Downtown Phoenix; Universite de Montreal; Laval University; Universite de Montreal
作者：Agudelo Rueda, Jeffersson
作者单位：Northumbria University
