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Investigation of substituent effect of 1-(3,3-diphenylpropyl)-piperidinyl phenylacetamides on CCR5 binding affinity using QSAR and virtual screening techniques
(2006)
A linear quantitative-structure activity relationship model is developed in this work using Multiple Linear Regression Analysis as applied to a series of 51 1-(3,3-diphenylpropyl)-piperidinyl phenylacetamides derivatives ...
Prediction of intrinsic viscosity in polymer-solvent combinations using a QSPR model
(2006)
In this work, a linear quantitative structure-property relationship (QSPR) model is presented for the prediction of intrinsic viscosity in polymer solutions. The model was produced by using the multiple linear regression ...
A combined LS-SVM & MLR QSAR workflow for predicting the inhibition of CXCR3 receptor by quinazolinone analogs
(2010)
AnovelQSARworkflowis constructed that combines MLR with LS-SVM classification techniques for the identification of quinazolinone analogs as "active" or "nonactive" CXCR3 antagonists. The accuracy of the LS-SVM classification ...
Ligand - Based virtual screening procedure for the prediction and the identification of novel β-amyloid aggregation inhibitors using Kohonen maps and Counterpropagation Artificial Neural Networks
(2011)
In this work we have developed an in silico model to predict the inhibition of β-amyloid aggregation by small organic molecules. In particular we have explored the inhibitory activity of a series of 62 N-phenylanthranilic ...
A novel QSAR model for predicting induction of apoptosis by 4-aryl-4H-chromenes
(2006)
A linear quantitative structure-activity relationship (QSAR) model is presented for modeling and predicting induction of apoptosis by 4-aryl-4H-chromenes. The model was produced by using the multiple linear regression (MLR) ...
Development and evaluation of a QSPR model for the prediction of diamagnetic susceptibility
(2008)
A novel QSPR model is developed and evaluated for the prediction of diamagnetic susceptibility. The model was produced using the Multiple Linear Regression (MLR) technique on a database that consists of 406 organic compounds ...
A novel simple QSAR model for the prediction of anti-HIV activity using multiple linear regression analysis
(2006)
A quantitative-structure activity relationship was obtained by applying Multiple Linear Regression Analysis to a series of 80 1-[2-hydroxyethoxy-methyl] -6-(phenylthio) thymine (HEPT) derivatives with significant anti-HIV ...
A novel QSAR model for evaluating and predicting the inhibition activity of dipeptidyl aspartyl fluoromethylketones
(2006)
A linear quantitative structure activity relationship model is obtained using Multiple Linear Regression (MLR) analysis as applied to a series of 49 dipeptidyl aspartyl fluoromethylketone derivatives with inhibitory activity ...
Polymers and oligomers with transverse aromatic groups and tightly controlled chain conformations
(1998)
Anionic ring-opening polymerisation of spiro[cyclopropane-1,9′-fluorene] with fluorenyl anion as initiator yields polymers 1 with chains which are essentially all-anti and have transversely-oriented fluorenyl groups, as ...
Ring contraction of 1,3-diphenylbenzo[1,2,4]triazinyl radicals to 1,2-diphenylbenzimidazoles
(2014)
Reductive ring contraction of 1,3-diphenyl-1,4-dihydrobenzo[e][1,2,4] triazin-4-yls (Blatter's radicals) using zinc powder (2 equiv.) in acetic acid heated to ca. 118 °C gives 1,2-diphenylbenzimidazoles in high yield. ...