基于数据的高通量小分子 3-D 结构预测：综述与进展。对剑桥晶体学数据中心来信的回应。
Data-driven high-throughput prediction of the 3-D structure of small molecules: review and progress. A response to the letter by the Cambridge Crystallographic Data Centre.
出版信息
J Chem Inf Model. 2011 Dec 27;51(12):3029. doi: 10.1021/ci200460z. Epub 2011 Dec 7.
PMID:22107601
Abstract
A response is presented to sentiments expressed in "Data-Driven High-Throughput Prediction of the 3-D Structure of Small Molecules: Review and Progress. A Response from The Cambridge Crystallographic Data Centre", recently published in the Journal of Chemical Information and Modeling, (1) which may give readers a misleading impression regarding significant impediments to scientific research posed by the CCDC.
摘要
对最近发表在《化学信息与建模杂志》上的一篇评论文章“数据驱动的小分子三维结构高通量预测：综述与进展。剑桥晶体学数据中心的回应”中表达的观点做出回应，(1) 这可能会使读者对 CCDC 给科学研究带来的重大障碍产生误解。
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