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使用哪些预测工具进行筛选?
Question (EN)
Which predictive tools are used for screening?
中文内容由 Google Cloud Translation 自动生成,仅供参考;请以英文原文为准。问答资料来自欧盟化学品管理局(ECHA)官方网站。
答案(中文)
我们使用各种商业和公共预测工具,例如公共工具 OECD QSAR Toolbox (http://www.qsartoolbox.org/) 和 EPISUITE (http://www.epa.gov/tsca-screening-tools/epi-suitetm-estimation-program-interface)。这些工具种类繁多,包括经典的 QSAR 模型和基于结构警报的预测方法。欧洲化学品管理局 (ECHA) 无法发布用于筛选的全套工具,尤其是商业工具。我们尝试覆盖所有主要的 REACH 终点,通常使用多种工具,以便可以组合使用这些工具来评估预测的一致性。对于某些终点,模型预测仅用作其他危害证据的支持信息,例如该物质被列入非政府组织的优先清单。
Answer (EN)
We use a variety of commercial and public predictive tools, such as the public tools OECD QSAR Toolbox (http://www.qsartoolbox.org/) and EPISUITE (http://www.epa.gov/tsca-screening-tools/epi-suitetm-estimation-program-interface). The tools are of various kinds, including classical QSAR models and predictive methods based on structural alerts.
ECHA is not in a position to publish the full set of tools used for screening, especially if they are commercial. We try to cover all major REACH endpoints, often with more than one tool, so that the tools can be used in combination to assess the consistency of the predictions.
For certain endpoints, the model predictions are only used as supporting information to other hazard evidence, such as the listing of the substance in priority lists of non-governmental organisations.