Efficiency and Quantitative Structure-Activity Relationship of Monoaromatics Oxidation by Quinone-Activated Persulfate [PDF]
Frontiers in Chemistry, 2021 Quinones and quinone-containing organics have potential of activating persulfate to produce sulfate radical. In this work, the optimal condition for quinone activation of persulfate was investigated.
Jiaqi Shi +6 more
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A Quantitative Structure-Activity Relationship for Human Plasma Protein Binding: Prediction, Validation and Applicability Domain [PDF]
Advanced Pharmaceutical Bulletin, 2023 Purpose: The purpose of this study was to develop a robust and externally predictive in silico QSAR-neural network model for predicting plasma protein binding of drugs. This model aims to enhance drug discovery processes by reducing the need for chemical
Affaf Khaouane +2 more
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Platinum(IV) compounds as potential drugs: a quantitative structure-activity relationship study [PDF]
BioImpacts, 2023 Introduction: Machine learning methods, coupled with a tremendous increase in computer power in recent years, are promising tools in modern drug design and drug repurposing.
Jurica Novak +4 more
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Quantitative structure-activity relationship to elucidate human CYP2A6 inhibition by organosulfur compounds [PDF]
ADMET and DMPK, 2019 CYP2A6 is a human enzyme responsible for the metabolic elimination of nicotine, and it is also involved in the activation of procarcinogenic nitrosamines, especially those present in tobacco smoke.
Daniela Andrea Ramirez +3 more
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The Psychonauts’ Benzodiazepines; Quantitative Structure-Activity Relationship (QSAR) Analysis and Docking Prediction of Their Biological Activity [PDF]
Pharmaceuticals (Basel), 2021 © 2021 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).Designer ...
Botha, Michelle +6 more
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Quantitative structure-activity relationship of some 1-benzylbenzimidazole derivatives as antifungal agents [PDF]
Acta Periodica Technologica, 2007 In the present study, the antifungal activity of some 1-benzylbenzimidazole derivatives against yeast Saccharomyces cerevisiae was investigated. The tested benzimidazoles displayed in vitro antifungal activity and minimum inhibitory concentration (MIC ...
Podunavac-Kuzmanović Sanja O. +2 more
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Toward Novel Antioxidant Drugs: Quantitative Structure-Activity Relationship Study of Eugenol Derivatives [PDF]
Walisongo Journal of Chemistry, 2021 The study of the Quantitative Structure-Activity Relationship (QSAR) of eugenol compound and its derivatives towards antioxidant activities was conducted using electronic and molecular descriptors.
Priyagung Dhemi Widiakongko +1 more
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Comprehensive strategies of machine-learning-based quantitative structure-activity relationship models [PDF]
iScience, 2021 Summary: Early quantitative structure-activity relationship (QSAR) technologies have unsatisfactory versatility and accuracy in fields such as drug discovery because they are based on traditional machine learning and interpretive expert features.
Jiashun Mao +11 more
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An assessment of mutagenicity of chemical substances by (quantitative) structure–activity relationship [PDF]
Genes and Environment, 2020 Currently, there are more than 100,000 industrial chemicals substances produced and present in our living environments. Some of them may have adverse effects on human health.
Masamitsu Honma
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A quantitative structure-activity relationship (QSAR) study of chlorinated cyclodiene insecticide analogs [PDF]
, 1995 Quantitative structure-activity relationships (QSAR) between the inhibitory effect of specific t-butylbicyclophosphorothionate (TBPS) binding to rat brain P2 membrane, a lipophilic parameter, and topological indices, were studied for 33 chlorinated ...
Jianbo Liu
openalex +4 more sources