J Comput Chem. 2013 Jul 30;34(20):1796. doi: 10.1002/jcc.23321. Epub 2013 May 21.
We appreciate the interest of Dr. Rayne on our article and we completely agree that the dataset of (benzo-)triazoles, which were screened by the hydroxyl radical reaction quantitative structure-activity relationship (QSAR) model, was not only composed of benzo-triazoles but also included some simpler triazoles (without the condensed benzene ring), such as the chemicals listed by Dr. Rayne, as well as some related heterocycles (also few not aromatic). We want to clarify that in this article (as well as in other articles in which the same dataset was screened), for conciseness, the abbreviations (B)TAZs and BTAZs were used as general (and certainly too simplified) notations meaning an extended dataset of benzo-triazoles, triazoles, and related compounds.
我们感谢 Rayne 博士对我们文章的关注，我们完全同意羟基自由基反应定量构效关系（QSAR）模型筛选的（苯并）三唑数据集不仅由苯并三唑组成，还包括一些更简单的三唑（没有缩合苯环），如 Rayne 博士列出的化学品，以及一些相关的杂环（也有一些非芳香族的）。我们想澄清的是，在本文（以及其他使用相同数据集进行筛选的文章）中，为了简洁起见，使用了缩写（B）TAZs 和 BTAZs 作为通用（当然也过于简化）的表示，表示苯并三唑、三唑和相关化合物的扩展数据集。
