Evaluation of Aqueous Solubility of Hydroxamic Acids by PLS Modelling - Couverture souple

Pande, Rama; Patre, Sandhya; Thakur, Piyush Kumar

Couverture souple

ISBN 10 : 365930834X ISBN 13 : 9783659308345

Editeur : LAP LAMBERT Academic Publishing, 2013

Synopsis

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.

A propos du livre

À propos de l'auteur

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.

Détails de l'édition

• Éditeur: LAP LAMBERT Academic Publishing
• Date d'édition: 2013
• Langue: anglais
• ISBN 10: 365930834X
• ISBN 13: 9783659308345
• Reliure: Broché
• Nombre de pages: 68
• Coordonnées du fabricant: non disponible
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