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231224s2013 xx |||||o 00| ||eng c |
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|a 10.1002/jcc.23321
|2 doi
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|a eng
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|a Gramatica, Paola
|e verfasserin
|4 aut
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|a Reply to the comment of S. Rayne on "QSAR model reproducibility and applicability
|b A case study of rate constants of hydroxyl radical reaction models applied to polybrominated diphenyl ethers and (benzo-)triazoles"
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|c 2013
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
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|2 rdamedia
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|a ƒa Online-Ressource
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|a Date Completed 02.07.2014
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|a Date Revised 26.06.2013
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|a published: Print-Electronic
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|a CommentOn: J Comput Chem. 2011 Aug;32(11):2386-96. - PMID 21541967
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|a Citation Status PubMed-not-MEDLINE
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|a Copyright © 2013 Wiley Periodicals, Inc.
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|a 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
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|a Comment
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|a Letter
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|a Kovarich, Simona
|e verfasserin
|4 aut
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|a Roy, Partha Pratim
|e verfasserin
|4 aut
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|i Enthalten in
|t Journal of computational chemistry
|d 1984
|g 34(2013), 20 vom: 30. Juli, Seite 1796
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|g volume:34
|g year:2013
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|g day:30
|g month:07
|g pages:1796
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|u http://dx.doi.org/10.1002/jcc.23321
|3 Volltext
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