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虚拟筛选与图书馆设计

Virtual Screening and Library Design
课程网址: http://videolectures.net/icgeb_bender_virtual_screening/  
主讲教师: Andreas Bender
开课单位: 剑桥大学
开课时间: 2019-06-28
课程语种: 英语
中文简介:
据估计,化学空间包含约10^60种不同的小分子;然而,在实践中,只有数万(在更复杂的分析中)到数亿(在DNA编码的库中)的化合物可以被筛选,而这些化合物要小很多倍。因此,选择“相关”化学空间来选择要测试的化合物至关重要,包括虚拟筛选和库设计的主题。在本文中,我们将讨论这两个主题的方法和实际应用。
课程简介: Chemical space is estimated to contain ca 10^60 distinct small molecules; however in practice only tens of thousands (in more complex assays) to hundreds of millions (in DNA-encoded libraries) of compounds can be screened, which is many times smaller. Therefore, the selection of 'relevant' chemical space for choosing which compounds to test is crucial, comprising the topics of virtual screening and library design. In this contribution we will discuss both methods and practical applications of both topics.
关 键 词: 虚拟筛选; 数据科学; 图书馆设计; 虚拟筛选和库设计
课程来源: 视频讲座网
数据采集: 2022-10-14:cyh
最后编审: 2022-10-14:cyh
阅读次数: 36