Fc-nearest neighbors

Shen, M.,Xiao,Y., Golbraikh,A., Gombar, V.K. and Tropsha, A. (2003) Development and validation of fc-Nearest-Neighbor QSPR models of metabolic, stability of drug candidates. Journal of Medicinal Chemistry, 46, 3013-3020. 

Cedeno, W. and Agrafiotis, D.K. (2003) Using particle swarms for the development of QSAR models based on fC-nearest neighbor and kernel regression./. Comput. Aid. Mol Des., 17, 255-263. 

Temporal-independent techniques neglect the information in the temporal domain. They summarize all of the frames for an observed sequence into a single representation, subsequently performing activity recognition for each frame. The main techniques in this category include fc-nearest neighbors (KNN) and support vector machines (SVMs). 

Distance-based AD. In our studies, the AD is defined as the Euclidean distance threshold DT between a query compound and its closest fc-nearest neighbors of the training set. It is calculated... 

Here, y is the average Euclidean distance between each compound and its fc-nearest neighbors in the training set fc is optimized in the course of QSAR modeling, and the distances are calculated using descriptors selected by the optimized (model only), a is the standard deviation of these Euclidean distances, and Z is an arbitrary cutoff parameter defined by a user (de Cerqueira et al. 2006 Hsieh et al. 2008 Kovatcheva et al. 2005 Zhang et al. 2008). We set the default value of this parameter Z at 0.5, which formally places the allowed distance threshold at the mean plus one-half of the standard deviation. We also define the AD in the entire... 

FIGURE 5.24 fc-NN classification for the glass data with six glass types. The optimal parameter for k, the number of nearest neighbors, is 2. The test error for this parameter choice is 0.34. 

The statistical thermodynamics analysis of -mers adsorption in a one-dimensional lattice provides an intuitive approach to linear molecules confined in quasi-one-dimensional nanotubes. More elaborated analytical solutions that incorporate nearest and next-nearest-neighbors between fc-mer s ends can be obtained by applying the mapping proposed in the present work. 

The coordination number of an atom in a crystal is the number of nearest-neighbor atoms. The coordination number is constant for a given lattice [see Problems 10.1(fc) and 10.14(7/)]. 

In a particular case for the self-diffusion of atoms A in a pure metal (equilibrium vacancy concentration, s —2, dB — 0) his expression for /. coincides with that obtained earlier by Lidiard [178] who has considered atom displacement into the nearest-neighboring sites therefore these expressions differ from the exact fc values (Campaan and Haven [179] and Schoen and Lowen [180]). 

For nearest neighbor coupling in bigger networks of, for example, ten by ten neurons the coupling current fc(i,j) of a neuron at position (i,j) is the sum of input currents from the neighboring neurons ... 

Clark PJ, Evans FC (1954) Distance to nearest neighbor as a measure of spatial relationships in populations. Ecology 35 445-453. 

Clark PJ, Evans FC (1979) Generalization of a nearest neighbor measure of dispersion for use in K dimensions. Ecology 60 316-317. 

Missing value estimation methods based on -nearest neighbors (fc-NN) or a singular value decomposition (SVD approach) can be used to remedy the data where multiple missing expression values exist (13,21). 

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