Steric effects in quantitative structure-activity relationships [PDF]
Pure and Applied Chemistry, 1978 Abstract
Tetsuro Fujita
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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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Quantitative Structure–Activity Relationship Evaluation of MDA-MB-231 Cell Anti-Proliferative Leads [PDF]
Molecules, 2021 In the present endeavor, for the dataset of 219 in vitro MDA-MB-231 TNBC cell antagonists, a (QSAR) quantitative structure–activity relationships model has been carried out.
Ajaykumar Gandhi +5 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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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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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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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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A practical overview of quantitative structure-activity relationship [PDF]
, 2009 EXCLI Journal ; Vol.
Isarankura-Na-Ayudhya, Chartchalerm +3 more
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QSAR MODELING OF ANTIBACTERIAL ACTIVITY OF SOME BENZIMIDAZOLE DERIVATIVES [PDF]
Chemical Industry and Chemical Engineering Quarterly, 2011 A quantitative structure-activity relationship (QSAR) study has been carried out for a training set of 12 benzimidazole derivatives to correlate and predict the antibacterial activity of studied compounds against Gram-negative bacteria Pseudomonas ...
SANJA O. PODUNAVAC-KUZMANOVIĆ +1 more
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