Reply to the comment of S. Rayne on “QSAR model reproducibility and applicability: A case study of rate constants of hydroxyl radical reaction models applied to polybrominated diphenyl ethers and (benzo‐)triazoles”
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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. © 2013 Wiley Periodicals, Inc.
[1] P Gramatica,et al. Modelling physico-chemical properties of (benzo)triazoles, and screening for environmental partitioning. , 2011, Water research.
[2] Paola Gramatica,et al. QSAR Modeling is not “Push a Button and Find a Correlation”: A Case Study of Toxicity of (Benzo‐)triazoles on Algae , 2012, Molecular informatics.
[3] Paola Gramatica,et al. QSAR model reproducibility and applicability: A case study of rate constants of hydroxyl radical reaction models applied to polybrominated diphenyl ethers and (benzo‐)triazoles , 2011, J. Comput. Chem..