Classification, Similarity Analysis and Modeling of Drug Activities Using Chemometric Techniques: Introduction of Classical Relativity in Chemical Space, Ph.D. Dissertation Sharif University of Technology ; Jalali-Heravi, Mehdi (Supervisor)
Abstract
The present research devoted to the application, development and implementation of clustering, classification and regression techniques for modeling of the biological activity of different drug and drug-like molecules. At first, the prediction ability of Bayesian regression techniques was evaluated for describing and predicting the inhibition behavior of Integrin antagonists. As a next step, the complementary local search techniques have been used for improving the performances of Bayesian regularized genetic neural network (BRGNN) algorithm. The results indicated that the pattern search algorithm has a great potential to be used as a feature selection method in Chemoinformatics. In line...
Cataloging briefClassification, Similarity Analysis and Modeling of Drug Activities Using Chemometric Techniques: Introduction of Classical Relativity in Chemical Space, Ph.D. Dissertation Sharif University of Technology ; Jalali-Heravi, Mehdi (Supervisor)
Abstract
The present research devoted to the application, development and implementation of clustering, classification and regression techniques for modeling of the biological activity of different drug and drug-like molecules. At first, the prediction ability of Bayesian regression techniques was evaluated for describing and predicting the inhibition behavior of Integrin antagonists. As a next step, the complementary local search techniques have been used for improving the performances of Bayesian regularized genetic neural network (BRGNN) algorithm. The results indicated that the pattern search algorithm has a great potential to be used as a feature selection method in Chemoinformatics. In line...
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