Multidimensional Pharmacochemistry: Design of Safer DrugsMultidimensional Pharmacochemistry: Design of Safer Drugs deals with techniques based on the theory of simultaneous statistical inference and the qualitative rules that can be applied in solving problems of high toxicity. This book points out that the multidimensional view of data analysis can be applied to solve problems in medicinal chemistry. Investigators use different approaches; a certain procedure can prove to be the most beneficial for a specific drug design. This text presents the theoretical assumptions that mathematicians make to derive the basis for their multivariate techniques. This book also describes, in nonmathematical terms, a set of methods that are valuable, as well as explain the different designs by using numerical examples. According to E.J. Ariens, drug action involves the pharmaceutical, pharmacokinetic-toxokinetic, and pharmacodynamics-toxodynamic phases. The multivariate structure-activity analysis (MASCA) Model of Pharmacochemistry is a highly unified multivariate approach to drug design. To develop a multidimensionally oriented pharmacology, the book notes that the investigator can use the "dynamic structure-activity analysis." This entails the experimentalist and chemist using quantitative approaches and intuitive elements from a small number of compounds toward larger groups, with successive changes being inputted in the desired biological activity. This book is strongly recommended for toxicologists, pharmacologists, applied mathematicians, medicinal and agricultural chemists. |
Contents
BiochemicalPharmacological Design | 6 |
Underlying Theory | 60 |
III | 66 |
Copyright | |
19 other sections not shown
Other editions - View all
Common terms and phrases
1-NHSO₂Me AChE acid applied b₁ bioassay butyrophenones calculated canonical correlation canonical discriminant Chapter Chem chemical compounds correlation coefficient correlation matrix covariance degrees of freedom denotes derivatives design matrix determined discriminant analysis discriminant function dispersion matrices doses drug design effects eigenvalues eigenvectors equation error estimated example experimental F₁ Ho₁ KANORA level or less linear lipophilic listed in Table MANOVA mean values medicinal chemistry metabolic methods mg/kg molecules multicollinearity multiple correlation multivariate normal distribution multivariate test N₁ N₂ NMe₂ null hypothesis obtained OEt OEt one-way classification opioids original variables oxime P. P. Mager pharmacological physicochemical parameters predictive principal component function PRINCO procedure QSAR receptor regression analysis regression coefficients regression matrix regressors rejected sample Section SP test steric substituents techniques test statistics theoretical toxicity treatment groups two-way classification univariate variances vector X₁ X₂ Y₁ Y₂ zero