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Perception functional group

Takeuchi, K., Kuroda, C. and Ishida, M. (1990). Prolog-Based Functional Group Perception and Calculation of 1-Octanol/Water Partition Coefficients Using Rekker s Fragment Method. J.Chem.Inf.Comput.ScL, 30,22-26. [Pg.652]

The physico-chemical parameters of the chemical stimuli which have been shown to have relevance and to be interrelated to the sensory response it elicits as specific odor or taste, are the factors controlling concentration at the receptor areas (solubility, hydrophilicity, lipophilicity, volatility, and partition coefficients), molecular features (size, shape, stereochemical and chirality factors and functional groups), and electronic features (polarity and dipoles) controlling positioning and contact at receptor surfaces (53). Many of these physico-chemical data are not available for many of the chemical stimulants, and till they are gathered, structure-response studies will be much restricted. The effects of interactions of the above parameters appear to a larger degree in the perception of odor, the dimensions of which are many and complex viz. nuances, composite... [Pg.82]

PERCV Perception routines analyze structure for basic structural features (rings, functional groups, etc.) and assign a unique stereochemical name. [Pg.518]

At first glance, radical polymerization may be considered a mature technology with millions of tons of vinyl based homo- and copolymers being produced annually. This perception of maturity is based on the fact that free radical polymerization is so widely used industrially and in research laboratories for the synthesis of a wide variety of polymeric materials. This widespread adoption is due to its versatility, synthetic ease, and compatibility with a wide variety of functional groups, coupled with its tolerance to water and protic media. These features make possible the development of emulsion and suspension techniques, which greatly simplifies the experimental set up and has led to wide commercial adoption. [Pg.103]

Moreover, NMR was revolutionary in provoking a Gestalt switch (to borrow Kuhn s phraseology) in the chemists perceptions. Earlier, molecules were identified by their functional groups, carbonyls, hydroxyls, and the like, which were like beacons (as reflected in chemical nomenclature, in its affixes and priorities). Now, especially at the beginning of... [Pg.338]

The basic chemical information used for functional groups, protective groups, sensitivities and reaction conditions is represented by binary sets, and manipulated with logical set operations, AND, OR, XOR, and SUBSET. A binary set containing the current functional groups is established during perception of the target ... [Pg.113]


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