Distance-based algorithms

Karakoc, E., Cherkasov, A., and Sahinalp, S.C. (2006) Distance based algorithms for small biomolecule classification and structural similarity search. Bioinformatics 15,243-251. 

Marengo, E. and Todeschini, R. A new algorithm for optimal, distance-based experimental design. Chemometrics andlntelligent Laboratory Systems, 1992, 16, 37-44. 

Alternatively, the number of desired compounds can be predefined and a stochastic algorithm used to maximize the diversity of the selected set, although these methods are even slower than addition methods. Sphere-exclusion methods, which Pearlman calls "elimination" algorithms because the diverse subset is created by eliminating compounds from the superset, have been implemented in Diverse-Solutions (31) (see Section 2.2.1.1), providing a rapid distance-based diverse subset selection method. The minimum distance between nearest neighbors within the diverse subset is first defined a compound is chosen at... 

Identification Quality Assessment. In a first of its kind paper, Rose in 1982 showed that a number of structurally similar penicillin-type drugs could be identified and determined by NIR. At Sandoz, Ciurczak in 1984 reported using Mahalanobis distance-based algorithms for the identification of raw materials. ° Ciurczak also reported the use of spectral matching (SM) and principle component analysis (PCA) for raw materials and suggested a method for introducing variations into samples for more robust equation development in 1986. NIR has been in use for raw material ID since then in companies worldwide. 

DAI Distance-based Atom-type GA-VSS Genetic Algorithms-Variable... 

In general, five different approaches can be distinguished and are applied to explore the conformational space of a molecule systematic searches, rule-based and data-based approaches (model building), random methods, genetic algorithms, distance geometry, and simulation methods. Some of the basic principles and ideas behind these concepts have already been described in the Secs. 2 and 3 of this article. In the following, the application of these concepts to conformational analysis and searches will be discussed. 

Number of Potential Outliers (0 to n) Even though there is a simple statistical rule of thumb for identifying suspected outliers in ID, there is no simple counterpart for 2D cases. Instead, there are many outlier detection algorithms developed by data-mining and database researchers. Among them, distance-based outlier... 

There are several important philosophical differences between distance-based phylogenetic methods and character-based parsimony which should not be overlooked. First is the unappealing property of distance-based analyses that all information on evolutionary change is averaged into one number for each pair of taxa. Second, to paraphrase Swofford and Olsen (1990), the as stamptions involved in distance methods (such as additivity and clock-like evolution) are rarely evident or discussed and the justification of the algorithm itself often seems to be the objective of the study. On the contrary, in the case of methods will a well-defined optimality criterion such as parsimony, the objective is usually related to a (more or less) concrete set of assumptions. 

Two distinct LEA based on Fuzzy Logic are presented in this section. The first algorithm is based on the concept of distance where the Fuzzy Logic Algorithm determines which FM points that are considered in the estimation of the current location [12]. The second algorithm is based on pattern search, and it determines the location based on the pattern formed by the RSS values of the detected references [5]. 

This is a simple and commonly used classification algorithm and the classification accuracies are comparable to any other classification. The user in this classification has to provide the mean vectors for each class in each band from the training sets. In this classification distance of each mean vector is calculated for each unknown pixel this distance is calculated using Euchdian distance based on... 

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