Results 21 to 30 of about 36,144 (247)
Journal of Saudi Chemical Society, 2010 G-protein coupled receptors like Bradykinin (BK) B1 represent a potential treatment route for chronic pain and inflammation. Quantitative structure activity relationship has been performed on a series of α-hydroxy amides as a novel class of bradykinin B1
A.K. Srivastava +3 more
doaj +1 more source
Journal of Saudi Chemical Society, 2010 Quantitative structure activity relationship (QSAR) studies on a series of 8-methoxy quinolone are found to correlate well with steric parameters and electronic parameter.
A.K. Srivastava +3 more
doaj +1 more source
Mixed-model QSAR at the glucocorticoid and liver X receptors [PDF]
, 2009 The presence of hormonally active compounds in the biosphere has become a worldwide environmental concern, and measures such as policy acts and regulations try to address the problem, both in Europe and in the United States.
Spreafico, Morena
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, 2019 Quantitative structure–activity relationships (QSAR) modeling is a well-known computational technique with wide applications in fields such as drug design, toxicity predictions, nanomaterials, etc. However, QSAR researchers still face certain problems to
Amit Kumar Halder +7 more
core +2 more sources
QSAR based modeling of hepatitis C virus NS5B inhibitors
Journal of Saudi Chemical Society, 2010 QSAR analysis on a series of 13 derivatives of 5-hydroxy-3-(2H)-pyridazinone as hepatitis C virus NS5B polymerase inhibitors was performed. The inhibitory activities of these compounds were found to increase with density (D), index of refractivity (Ior),
A.K. Srivastava +3 more
doaj +1 more source
Modeling of the Acute Toxicity of Benzene Derivatives by Complementary QSAR Methods [PDF]
, 2013 A data set containing acute toxicity values (96-h LC50) of 69 substituted benzenes for fathead minnow (Pimephales promelas) was investigated with two Quantitative Structure- Activity Relationship (QSAR) models, either using or not using molecular ...
Duce, Celia +3 more
core +2 more sources
Journal of Saudi Chemical Society, 2011 QSAR studies were performed on a series of imidazole derivatives as novel Orl1 receptor antagonists. Imidazole derivatives have been analyzed in relation to their physicochemical and molecular properties.
A.K. Srivastava, Neerja Shukla
doaj +1 more source
2D-QSAR and 3D-QSAR Analyses for EGFR Inhibitors [PDF]
BioMed Research International, 2017 Epidermal growth factor receptor (EGFR) is an important target for cancer therapy. In this study, EGFR inhibitors were investigated to build a two-dimensional quantitative structure-activity relationship (2D-QSAR) model and a three-dimensional quantitative structure-activity relationship (3D-QSAR) model. In the 2D-QSAR model, the support vector machine
Manman Zhao +7 more
openaire +2 more sources
A QSTR-Based Expert System to Predict Sweetness of Molecules
Frontiers in Chemistry, 2017 This work describes a novel approach based on advanced molecular similarity to predict the sweetness of chemicals. The proposed Quantitative Structure-Taste Relationship (QSTR) model is an expert system developed keeping in mind the five principles ...
Cristian Rojas +7 more
doaj +1 more source
A QSAR classification model of skin sensitization potential based on improving binary crow search algorithm [PDF]
, 2020 Classifying of skin sensitization using the quantitative structure-activityrelationship (QSAR) model is important. Applying descriptor selection isessential to improve the performance of the classification task.
Algamal, Zakariya Yahya; University of Mosul +1 more
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