Replacement Method and Enhanced Replacement Method Versus the Genetic Algorithm Approach for the Selection of Molecular Descriptors in QSPR/QSAR Theories

2010 ◽  
Vol 50 (9) ◽  
pp. 1542-1548 ◽  
Author(s):  
Andrew G. Mercader ◽  
Pablo R. Duchowicz ◽  
Francisco M. Fernández ◽  
Eduardo A. Castro
2008 ◽  
Vol 92 (2) ◽  
pp. 138-144 ◽  
Author(s):  
Andrew G. Mercader ◽  
Pablo R. Duchowicz ◽  
Francisco M. Fernández ◽  
Eduardo A. Castro

Author(s):  
Susan E. Carlson ◽  
Todd A. Pegg

Abstract Catalog design is the process of forming functional systems by assembling selected components from manufacturers’ catalogs. Generally, the engineer performs this design process in two steps: the selection of a basic system configuration, and the subsequent selection of specific components for that configuration. A genetic algorithm approach to catalog design will allow the integration of these two steps. This paper focuses on the four components of a genetic algorithm that must be developed for application to the catalog design problem. These operators include: a genetic representation of the design that includes its component parts and their connectivity, an initialization process for generating an initial set of designs, and a method for the exchange of the designs’ genetic information.


2001 ◽  
Vol 40 (01) ◽  
pp. 32-38 ◽  
Author(s):  
S. Vinterbo ◽  
L. Ohno-Machado

AbstractConstructing and updating prognostic models that learn from training cases is a time-consuming task. The more compact, and yet informative, the training sets are, the faster one can build and properly evaluate such models. We have compared different regression diagnostic methods for selection and removal of training cases in prognostic models. Univariate determinations were performed using classical regression diagnostic statistics. Multivariate determinations were performed using (1) a sequential “backward” selection of cases, and (2) a non-sequential genetic algorithm. The genetic algorithm produced final models that kept few cases and retained predictive capability. A genetic algorithm approach to case selection may be better suited for guiding removal of cases in training sets than a univariate or a sequential multivariate approach, possibly because of its ability to detect sets of cases that are influential en bloc but may not be sufficiently influential when considered in isolation.


2012 ◽  
Vol 57 (3) ◽  
pp. 829-835 ◽  
Author(s):  
Z. Głowacz ◽  
J. Kozik

The paper describes a procedure for automatic selection of symptoms accompanying the break in the synchronous motor armature winding coils. This procedure, called the feature selection, leads to choosing from a full set of features describing the problem, such a subset that would allow the best distinguishing between healthy and damaged states. As the features the spectra components amplitudes of the motor current signals were used. The full spectra of current signals are considered as the multidimensional feature spaces and their subspaces are tested. Particular subspaces are chosen with the aid of genetic algorithm and their goodness is tested using Mahalanobis distance measure. The algorithm searches for such a subspaces for which this distance is the greatest. The algorithm is very efficient and, as it was confirmed by research, leads to good results. The proposed technique is successfully applied in many other fields of science and technology, including medical diagnostics.


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