美国化学文摘社开放抗病毒化合物数据集 全力支持COVID-19研究

CAS Releases Open Access Dataset of Antiviral Chemical Compounds to Aid COVID-19 Discovery and Analysis

美国俄亥俄州哥伦布市(2020年4月1日)——美国化学会(ACS)旗下专业科学信息解决方案提供机构美国化学文摘社(以下简称“CAS”)，与全球科研组织携手共同应对COVID-19带来的复杂挑战。为了响应白宫科技政策办公室的号召并支持全球创新领导者， 美国化学文摘社从即日起开放已知和潜在的抗病毒活性化合物数据集，以支持研究、数据挖掘和分析应用等工作。

CAS特别整合了COVID-19“抗病毒候选化合物数据集”，包括来自CAS REGISTRY物质数据库的近5万个化学物质，这些物质在已公开出版的文献中报道了其抗病毒活性，或与已知抗病毒化合物结构相似。美国化学文摘社开放了每个物质的CAS登记号、物理性质数据和数据关联表等元数据。此数据集可供研究、数据挖掘、机器学习、分析等工作免费使用。本数据集是艾伦人工智能研究所(Allen Institute for AI)的“COVID-19开放研究数据集“中的第一个化学物质数据集，同时可在美国化学文摘社官网(www.cas.org)直接下载(或点击文末“阅读原文”)。

CAS总裁曼努埃尔·古兹曼说：“我谨向与COVID-19作战的一线研究人员和医疗专业人士表示由衷的感谢。CAS将竭尽全力利用我们的内容、技术和专业知识，以各种方式全力支持他们抗击挑战、挽救生命。由我们的科学家团队标引的这个元数据集将使研究人员以及新兴技术(如AI)团队得以在已发表的化学研究之间快速建立新的联系，以期有望加快对该疾病的治疗方法的发现。我们欢迎项目团队进行咨询，并希望以更多数据或服务支持抗击COVID-19的工作。”

由于正常研制、审批COVID-19疫苗的时间很有可能需要超过一年的时间，因此，短期治疗研究的大部分重点是可以减轻症状、加快康复速度的抗病毒治疗。CAS筛选的已知和潜在抗病毒化合物数数据集提供了一系列候选分子，如果证明它们具有抗COVID-19的活性，则可以将其重利用为短期治疗药物。

关于CAS

美国化学文摘社(CAS)是美国化学会(ACS)旗下分支机构，是专业的科学信息提供方，通过与全球研发机构合作，提供切实可行的科学见解，助力规划、创新、保护创新成果，并预测新的市场以及市场机会将如何演变。全球的商业、学术和政府部门的科研人员、专利专家和商业领袖都信赖CAS的解决方案和服务，为其发现和战略决策提供建议。CAS无与伦比的内容、专业技术和科学家智慧定制解决方案，为机构带来信息优势。110余年的经验，CAS专注科学信息。更多信息，请访问www.cas.org。

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阅读并下载该数据集，请点击“阅读原文”。

Columbus, OH, April 1, 2020 - CAS, a division of the American Chemical Society specializing in scientific information solutions, is partnering with research and technology organizations worldwide to tackle the complex challenges presented by COVID-19. In support of calls to action from the White House Office of Science and Technology Policy and innovation leaders around the globe, CAS just released an open access dataset of chemical compounds with known or potential antiviral activity to support research, data mining and analytics applications.

The new CAS COVID-19 Antiviral Candidate Compounds Dataset contains nearly 50,000 chemical substances assembled from the CAS REGISTRY® that have antiviral activity reported in published literature or are structurally similar to known antivirals. Related metadata, such as CAS Registry Number®, physical properties and a connection table for each substance, are also provided. The dataset is the first chemical substance collection contributed to the Allen Institute for AI’s COVID-19 Open Research Dataset “CORD-19” and can also be downloaded directly from CAS.

“I am deeply appreciative of the researchers and healthcare professionals on the front lines of the fight against COVID-19. CAS is fully committed to leveraging our content, technology and expertise in every way possible to support them in overcoming this challenge and saving lives,” says Manuel Guzman, CAS President. “This initial dataset, curated by our team of scientists, will enable researchers, as well as emerging technologies such as AI, to make novel connections between previously published chemical research to hopefully accelerate treatments for this disease. We welcome inquiries from project teams that would benefit from contributions of additional data or services to support COVID-19 efforts.”

As routine availability of an approved vaccine for COVID-19 is likely more than a year away, much of the short-term therapeutic research focus is on antiviral therapies that can mitigate symptoms and speed recovery. The curated collection of known and potential antiviral compounds CAS has developed provides a pool of candidate molecules that, if proven active against COVID-19, could be repurposed as short-term treatments.   

About CAS

CAS, a division of the American Chemical Society specializing in scientific information solutions, partners with R&D organizations globally to provide actionable insights that help them plan, innovate, protect their innovations, and predict how new markets and opportunities will evolve. Scientific researchers, patent professionals and business leaders around the world across commercial, academic and government sectors rely on our solutions and services to advise discovery and strategy. Leverage our unparalleled content, specialized technology, and unmatched human expertise to customize solutions that will give your organization an information advantage. With more than 110 years' experience, no one knows more about scientific information than CAS. Learn more at www.cas.org.

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