药物发现
概括性
稳健性(进化)
计算机科学
组合化学
化学
心理学
生物化学
基因
心理治疗师
作者
Amanda W. Dombrowski,Ana L. Aguirre,Anurupa Shrestha,Kathy Sarris,Ying Wang
标识
DOI:10.1021/acs.joc.1c01427
摘要
Parallel library synthesis is an important tool for drug discovery because it enables the synthesis of closely related analogues in parallel via robust and general synthetic transformations. In this perspective, we analyzed the synthetic methodologies used in >5000 parallel libraries representing 15 prevalent synthetic transformations. The library data set contains complex substrates and diverse arrays of building blocks used over the last 14 years at AbbVie. The library synthetic methodologies that have demonstrated robustness and generality with proven success are described along with their substrate scopes. The evolution of the synthetic methodologies for library synthesis over the past decade is discussed. We also highlight that the combination of parallel library synthesis with high-throughput experimentation will continue to facilitate the discovery of library-amenable synthetic methodologies in drug discovery.
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