Exploration of Ultralarge Compound Collections for Drug Discovery.

导出 LinkOut

翻译打印收藏纠错

第一作者： Wendy A,Warr

第一单位： Wendy Warr & Associates, 6 Berwick Court, Holmes Chapel, Crewe, Cheshire CW4 7HZ, United Kingdom.

作者： Wendy A,Warr ^[1] ; Marc C,Nicklaus ^[2] ; Christos A,Nicolaou ^[3] ; Matthias,Rarey ^[4]

作者单位： Wendy Warr & Associates, 6 Berwick Court, Holmes Chapel, Crewe, Cheshire CW4 7HZ, United Kingdom. ^[1] NCI, NIH, CADD Group, NCI-Frederick, Frederick, Maryland 21702, United States. ^[2] Discovery Chemistry, Lilly Research Laboratories, Eli Lilly and Company, Indianapolis, Indiana 46285, United States. ^[3] Universität Hamburg, ZBH Center for Bioinformatics, 20146 Hamburg, Germany. ^[4]

关键词 DNA-encoded libraries autonomous laboratory chemical space de novo drug design drug design fragment-based drug design generative models navigating chemical space review structure search ultralarge libraries

主题词药物设计(Drug Design);药物发现(Drug Discovery);小分子化合物库(Small Molecule Libraries)

DOI 10.1021/acs.jcim.2c00224

PMID 35421301

发布时间 2022-05-11

翻译满意度评价：

准确一般字义偏差语意偏离译文作用小提交