Mathematical Chemistry - An Emerging Field of Drug Discovery - Couverture souple

Saha, Supriyo; Pal, Dilipkumar

 
9783330652149: Mathematical Chemistry - An Emerging Field of Drug Discovery
Couverture souple
ISBN 10 : 3330652144 ISBN 13 : 9783330652149
Editeur : Scholars' Press, 2017

Synopsis

Mathematical Chemistry is the way to introduce mathematics in the world of chemistry. When we think to develop a drug molecule with higher activity and lower adverse effect, we depend upon chemical graph theory, and when we want to understand the nature of CNS-acting drug we must understand artificial neural network of brain, density functional theorem helps to understand electronic nature of a molecule and the classical fluid theory, electronic wave function by Schrodinger equation. By the use of statistical regression study as KNN, PLS, PCR, we can understand the data interpretation, also projected a linear regression model between the predicted and observed variable in a new space and used to dilute the multicollinearity problem; PCR can apply in this situation by excluding low-variance principal components in the regression step respectively. Also the use of quantum mechanics, molecular biology along with mathematical explanations one can quantify the nature of receptor, biological variation along with chemical structure. Finally, by using QSAR, QSPR and various effects of descriptor analysis and applicability domain analysis with data integrity.

Les informations fournies dans la section « Synopsis » peuvent faire référence à une autre édition de ce titre.

Présentation de l'éditeur

Mathematical Chemistry is the way to introduce mathematics in the world of chemistry. When we think to develop a drug molecule with higher activity and lower adverse effect, we depend upon chemical graph theory, and when we want to understand the nature of CNS-acting drug we must understand artificial neural network of brain, density functional theorem helps to understand electronic nature of a molecule and the classical fluid theory, electronic wave function by Schrodinger equation. By the use of statistical regression study as KNN, PLS, PCR, we can understand the data interpretation, also projected a linear regression model between the predicted and observed variable in a new space and used to dilute the multicollinearity problem; PCR can apply in this situation by excluding low-variance principal components in the regression step respectively. Also the use of quantum mechanics, molecular biology along with mathematical explanations one can quantify the nature of receptor, biological variation along with chemical structure. Finally, by using QSAR, QSPR and various effects of descriptor analysis and applicability domain analysis with data integrity.

Biographie de l'auteur

I am Supriyo Saha, Assistant Professor, SBSPGI, Dehradun, India and I Dilipkumar Pal, Associate Professor, Central University, INDIA. In this book, we emphasize on Graph Theory, Density Functional Theory, ANN, KNN, PLS, PCR, QSAR. Hope you all like the content of this book.Especially for candidates of Drug development and Pharmaceutical Chemistry.

Les informations fournies dans la section « A propos du livre » peuvent faire référence à une autre édition de ce titre.

Éditeur
Scholars' Press
Date d'édition
2017
Langue
anglais
ISBN 10 
3330652144
ISBN 13 
9783330652149
Reliure
Broché
Nombre de pages
108
Coordonnées du fabricant
non disponible
Personne responsable
non disponible