Evaluation of Aqueous Solubility of Hydroxamic Acids by PLS Modelling

 

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  • Product Description
 

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.

Product Specifications
SKU :COC87837
AuthorRama Pande,Sandhya Patre and Piyush Kumar Thakur
LanguageEnglish
BindingPaperback
Number of Pages68
Publishing Year2013-04-25T00:00:00.000
ISBN9783659308345
Edition1 st
Book TypeOrganic chemistry
Country of ManufactureIndia
Product BrandLAP LAMBERT Academic Publishing
Product Packaging InfoBox
In The Box1 Piece
Product First Available On ClickOnCare.com2015-10-08 00:00:00
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