Literature DB >> 23696035

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".

Paola Gramatica, Simona Kovarich, Partha Pratim Roy.   

Abstract

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.
Copyright © 2013 Wiley Periodicals, Inc.

Entities:  

Year:  2013        PMID: 23696035     DOI: 10.1002/jcc.23321

Source DB:  PubMed          Journal:  J Comput Chem        ISSN: 0192-8651            Impact factor:   3.376


  2 in total

1.  Exploring the Prominent and Concealed Inhibitory Features for Cytoplasmic Isoforms of Hsp90 Using QSAR Analysis.

Authors:  Magdi E A Zaki; Sami A Al-Hussain; Syed Nasir Abbas Bukhari; Vijay H Masand; Mithilesh M Rathore; Sumer D Thakur; Vaishali M Patil
Journal:  Pharmaceuticals (Basel)       Date:  2022-03-01

2.  Mechanistic Analysis of Chemically Diverse Bromodomain-4 Inhibitors Using Balanced QSAR Analysis and Supported by X-ray Resolved Crystal Structures.

Authors:  Magdi E A Zaki; Sami A Al-Hussain; Aamal A Al-Mutairi; Vijay H Masand; Abdul Samad; Rahul D Jawarkar
Journal:  Pharmaceuticals (Basel)       Date:  2022-06-14
  2 in total

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