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The aqueous solubility of drugs plays a key role in pharmaceutical, environmental and biological processes. It is an important factor in the ADMET (absorption, distribution, metabolism, elimination and toxicity) research. Since the experimental determination of water solubility is time-consuming therefore, reliable computational predictions are used for the pre-selection of acceptable drug like compounds. The Partial Least Squares (PLS) regression is a statistical method that bears some relation to principal components regression. PLS finds a linear regression model by projecting the predicted variables and the observable variables to a new space. In the present study, PLS regression is employed to model quantitative structure-property relationship (QSPR) for the aqueous solubility of 24 drug like molecules, N-arylhydroxamic acids by applying 15 physico-chemical properties as molecular descriptors. The prediction results are acceptable.
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Professor Rama Pande is working in School of Studies in Chemistry, Pt. Ravishankar Shukla University, Raipur since 32 years. Her research field includes physico-chemical parameters of drug like molecules, the N-arylhydroxamic acids.
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- EditoreLAP LAMBERT Academic Publishing
- Data di pubblicazione2013
- ISBN 10 365930834X
- ISBN 13 9783659308345
- RilegaturaCopertina flessibile
- Numero di pagine68
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Evaluation of Aqueous Solubility of Hydroxamic Acids by PLS Modelling
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Evaluation of Aqueous Solubility of Hydroxamic Acids by Pls Modelling
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Descrizione libro Taschenbuch. Condizione: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -The aqueous solubility of drugs plays a key role in pharmaceutical, environmental and biological processes. It is an important factor in the ADMET (absorption, distribution, metabolism, elimination and toxicity) research. Since the experimental determination of water solubility is time-consuming therefore, reliable computational predictions are used for the pre-selection of acceptable drug like compounds. The Partial Least Squares (PLS) regression is a statistical method that bears some relation to principal components regression. PLS finds a linear regression model by projecting the predicted variables and the observable variables to a new space. In the present study, PLS regression is employed to model quantitative structure-property relationship (QSPR) for the aqueous solubility of 24 drug like molecules, N-arylhydroxamic acids by applying 15 physico-chemical properties as molecular descriptors. The prediction results are acceptable. 68 pp. Englisch. Codice articolo 9783659308345
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Evaluation of Aqueous Solubility of Hydroxamic Acids by PLS Modelling
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Descrizione libro Taschenbuch. Condizione: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - The aqueous solubility of drugs plays a key role in pharmaceutical, environmental and biological processes. It is an important factor in the ADMET (absorption, distribution, metabolism, elimination and toxicity) research. Since the experimental determination of water solubility is time-consuming therefore, reliable computational predictions are used for the pre-selection of acceptable drug like compounds. The Partial Least Squares (PLS) regression is a statistical method that bears some relation to principal components regression. PLS finds a linear regression model by projecting the predicted variables and the observable variables to a new space. In the present study, PLS regression is employed to model quantitative structure-property relationship (QSPR) for the aqueous solubility of 24 drug like molecules, N-arylhydroxamic acids by applying 15 physico-chemical properties as molecular descriptors. The prediction results are acceptable. Codice articolo 9783659308345
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Evaluation of Aqueous Solubility of Hydroxamic Acids by PLS Modelling
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Descrizione libro Condizione: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Autor/Autorin: Pande RamaProfessor Rama Pande is working in School of Studies in Chemistry, Pt. Ravishankar Shukla University, Raipur since 32 years. Her research field includes physico-chemical parameters of drug like molecules, the N-arylhydroxam. Codice articolo 5147419
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Evaluation of Aqueous Solubility of Hydroxamic Acids by PLS Modelling
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