Multidimensional scaling in protein and pharmacological sciences. (English) Zbl 1113.90121

Bogle, I. D. L. (ed.) et al., Computer aided methods in optimal design and operations. Papers based on the presentations at the workshop, Vilnius, Lithuania, February 15–17, 2006. Hackensack, NJ: World Scientific (ISBN 981-256-909-X/hbk). Series on Computers and Operations Research 7, 139-148 (2006).
Summary: Multidimensional scaling is a technique for visualization of multidimensional data. In this paper pharmacological data are visualized using multidimensional scaling for the visual analysis of properties of adrenoceptors (which form a class of G-protein-coupled receptors) and ligands. The aim of visualization is to provide useful information for prediction of structural features of proteins and drug design. For the implementation of a multidimensional scaling technique a difficult global optimization problem should be solved. To attack such a problem a hybrid global optimization method is used, where an evolutionary global search is combined with a local descent.
For the entire collection see [Zbl 1103.90009].


90C26 Nonconvex programming, global optimization
90C59 Approximation methods and heuristics in mathematical programming
91C15 One- and multidimensional scaling in the social and behavioral sciences
62H30 Classification and discrimination; cluster analysis (statistical aspects)