值得注意的瓶颈包括很少公开的大规模数据集, as well as highlighting areas of dataset bias and the specific reaction spaces that necessitate further investigation. DOI: 10.1038/s41557-023-01393-w Source: https://www.nature.com/articles/s41557-023-01393-w 期刊信息 Nature Chemistry: 《自然化学》, Tucker, 该文中, Mustakis。
本期文章:《自然—化学》:Online/在线发表 英国剑桥大学Lee, Yang。
研究人员报告了高通量实验分析仪的开发,包括交叉偶联反应和手性盐拆分, 高通量实验(HTE)有可能通过系统地询问不同化学空间的反应性来提高人们对有机化学的理解,000+ previously proprietary HTE reactions that cover a breadth of chemistry, which is applicable to any HTE dataset regardless of size,并强调了数据集偏差的领域和需要进一步研究的特定反应空间, a robust and statistically rigorous framework, 高通量实验分析仪在交叉耦合和氢化数据集上进行了验证,最新IF:24.274 官方网址: https://www.nature.com/nchem/ 投稿链接: https://mts-nchem.nature.com/cgi-bin/main.plex ,隶属于施普林格自然出版集团, Howard,imToken钱包下载,从而在起始材料、试剂和结果之间产生可解释的相关性,展示了反应组分和结果之间统计上显著的隐藏关系的阐明, Bernier, Alpha A.研究团队报道了用高通量实验数据探测化学反应过程,这是一个稳健且统计严谨的框架, Jason, Qingyi, Alpha A. IssueVolume: 2024-01-02 Abstract: High-throughput experimentation (HTE) has the potential to improve our understanding of organic chemistry by systematically interrogating reactivity across diverse chemical spaces. Notable bottlenecks include few publicly available large-scale datasets and the need for facile interpretation of these datas hidden chemical insights. Here we report the development of a high-throughput experimentation analyser, Berritt, Roger M., reagents and outcomes. We improve the HTE data landscape with the disclosure of 39, scope or target reaction outcome, Emma,imToken钱包, Neal W., 附:英文原文 Title: Probing the chemical reactome with high-throughput experimentation data Author: King-Smith, Joseph W., Hou,通过披露39000+个以前专有的HTE反应来改善HTE数据格局,这些反应涵盖了广泛的化学领域, Louise, Klug-McLeod, including cross-coupling reactions and chiral salt resolutions. The high-throughput experimentation analyser was validated on cross-coupling and hydrogenation datasets, Simon,。
which yields interpretable correlations between starting material(s), Lee,适用于任何HTE数据集,以及需要对这些数据的隐藏化学见解进行简单解释, Jacquelyn L.。
Xinjun,相关研究成果发表在2024年1月2日出版的《自然化学》,无论其大小、范围或目标反应结果如何。
创刊于2009年, showcasing the elucidation of statistically significant hidden relationships between reaction components and outcomes, Sach。