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OpenTox—毒理学语义网的创建

OpenTox - the creation of a Semantic Web for Toxicology
课程网址: http://videolectures.net/solomon_hardy_semantic/  
主讲教师: Barry Hardy
开课单位: 道格拉斯联通公司
开课时间: 2011-09-06
课程语种: 英语
中文简介:
基于计算机化和体外方法的结合，21世纪面向人的安全性测试方法的新范式正在出现。通过不断发展的“巨大挑战”努力而开发出的新的预测性测试系统将需要结合来自各种数据，协议和概念的证据。这些知识源在基于本体的面向机械知识的框架内的组合，以产生可靠的测试系统，需要开发毒理学语义网。已开发出OpenTox框架（1,2），以支持毒理学资源之间的通信，其基础是数据和元数据的标准表示形式，分布式资源交换数据和元数据，建立和验证模型以及生成与以下内容有关的报告信息的能力：研究分析或风险评估。我将描述OpenTox的设计和语义体系结构以及当前可以实现的示例应用程序，包括a）创建和验证模型，以解决REACH法规对化学安全性评估的法规要求（3），b）在药物发现基础设施开发中的应用以及候选药物分子的证据库分析的权重（4），c）为超过70个合作伙伴的跨学科研究活动开发基础设施，这些合作伙伴正在合作取代系统毒理学领域的动物测试（5,6），以及d）与生态系统保护和生物多样性保护的相关性，包括欧洲和非洲的可持续发展环境（7）。（1）OpenTox一个开放源代码预测性毒理学框架由欧盟第七框架计划资助：HEALTH 2007 1.3 3促进，发展，验证，接受和实施QSAR（定量结构活动关系）毒理学，项目参考号Health F5 2008 200787（2008 2011）。（2）预测性毒理学应用的协同开发巴里·哈迪（Barry Hardy），尼克·道格拉斯（Nicki Douglas），克里斯托弗·赫尔玛（Christoph Helma），米恰·劳滕伯格（Micha Rautenberg），妮娜·杰利阿兹科娃（Nina Jeliazkova），韦德林·杰利阿兹科夫（Vedrin Jeliazkov），伊维莉娜·尼古洛娃（Ivelina Nikolova），罗曼杜多·贝尼尼（Romualdo Benigni），奥尔加·切里曼斯卡亚（Stefan Kramer）， Tobias Girschick，Fabian Buchwald，Joerg Wicker，Andreas Karwath，Martin Gutlein，Andreas Maunz，Haralambos Sarimveis，Georgia Melagraki，Antreas Afantitis，Pantelis Sopasakis，David Gallagher，Vladimir Poroikovkov，Dmitry Filimony，Alexana Lakhagunio，Talenas Girschick，David Gallagher，Vladimir Poroikov，Dmitry Filimony，Alexana La ，Natalia Skvortsova，Dmitry Druzhilovsky，Sunil Chawla，Indira Ghosh，Surajit Ray，Hitesh Patel和Sylvia Escher化学信息杂志2010，2：7（2010年8月31日）。
课程简介: A new paradigm of 21st century human-oriented safety testing approaches is now emerging based on a combination of in silico and in vitro approaches. The new predictive test systems developed from this growing “grand challenge” effort will need to combine evidences from a great variety of data, protocols, and concepts. The combination of these sources of knowledge within an ontology-based mechanistic knowledge-oriented framework to produce reliable test systems demands the development of a semantic web for toxicology. The OpenTox Framework (1,2) has been developed to support the communication between toxicology resources, based on standard representations of data and metadata, the ability for distributed resources to exchange data and metadata, build and validate models, and generate reporting information relevant for research analysis or risk assessment. I will describe the design and semantic architecture of OpenTox and example applications it can currently enable including a) creation and validation of models addressing the regulatory requirements of the REACH legislation for chemical safety evaluation (3), b) application in drug discovery infrastructure development and weight-of-evidence library profiling of drug candidate molecules (4), c) infrastructure development for the interdisciplinary research activities of a large cluster of over 70 partners collaborating on the replacement of animal testing in the area of systemic toxicology (5,6), and d) relevance for ecosystem protection and biodiversity preservation, including sustainable development contexts in both Europe and Africa (7). (1) OpenTox - An Open Source Predictive Toxicology Framework, is funded under the EU Seventh Framework Program: HEALTH-2007-1.3-3 Promotion, development, validation, acceptance and implementation of QSARs (Quantitative Structure-Activity Relationships) for toxicology, Project Reference Number Health-F5-2008-200787 (2008-2011).(2) Collaborative Development of Predictive Toxicology Applications Barry Hardy, Nicki Douglas, Christoph Helma, Micha Rautenberg, Nina Jeliazkova, Vedrin Jeliazkov, Ivelina Nikolova, Romualdo Benigni, Olga Tcheremenskaia, Stefan Kramer, Tobias Girschick, Fabian Buchwald, Joerg Wicker, Andreas Karwath, Martin Gutlein, Andreas Maunz, Haralambos Sarimveis, Georgia Melagraki, Antreas Afantitis, Pantelis Sopasakis, David Gallagher, Vladimir Poroikov, Dmitry Filimonov, Alexey Zakharov, Alexey Lagunin, Tatyana Gloriozova, Sergey Novikov, Natalia Skvortsova, Dmitry Druzhilovsky, Sunil Chawla, Indira Ghosh, Surajit Ray, Hitesh Patel and Sylvia Escher Journal of Cheminformatics 2010, 2:7 (31 August 2010) 
关 键 词: 机械知识; 毒理学语义网; 风险评估; OpenTox框架; 化学安全性评估; 药物分子证据库; 动物测试; 可持续环境发展
课程来源: 视频讲座网
最后编审: 2021-12-21：liyy
阅读次数: 62

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