Neighborhood behavior

Horvath, D. and Jeandenans, C. (2003) Neighborhood behavior of in silico structural spaces with respect to in vitro activity spaces - a novel understanding of the molecular similarity principle in the context of multiple receptor binding... 

Eerguson, A.M., Clark, R.D., and Weinberger, L.E. Neighborhood behavior a useful concept for validation of molecular diversity descriptors. 

Horvath, D. and Mao, B. Neighborhood behavior - fuzzy molecular descriptors and their influence on the relationship between structural similarity and property similarity. QSAR Comb. Sci. 

Profile prediction through GNB modeling (General Neighborhood Behavior). 

Methods aimed at predicting the full in vitro BioPrint profile through GNB modeling (General Neighborhood Behavior). 

A synergy approach which is the combination of linear/neural net and neighborhood behavior models that are independent ways of identifying correlations between molecular description and experimental activity. 

L. E. (1996) Neighborhood behavior A useful concept for validation of molecular diversity. J. Med. Chem. 39, 3049-3059. 

Key Words Chemical database compound selection library design molecular diversity molecular similarity neighborhood behavior similar property principle similarity searching. 

Going beyond typical seeded haystack analyses, neighborhood behavior studies conducted with respect to the set of drugs on the market,and based on an... 

A theoretical foundation of molecular similarity analysis is the assumption of neighborhood behavior ,which refers to the tendency of molecules with globally similar structures to exhibit similar biological activity. The well-known similarity-property principle (SPP) of Johnson and Maggiora expresses this paradigm and promotes a holistic view of molecular structure and properties. Molecular similarity applications assume that chemical similarity can be related to biological activity in a meaningful manner. However, the success of this approach ultimately depends on the way molecular similarity is defined. 

Patterson et al. [51] have validated descriptors using the concept of neighborhood behavior. The differences between calculated similarities of pairs of molecules were compared with their biological activities. A descriptor is said to exhibit neighborhood behavior if small changes in structural similarity correlate with small changes in biological activity. 

Fundamental assumption that similar compounds typically exhibit similar biological activity also referred to as neighborhood behavior. 

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