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Maximal similarity rule

Molecular quantum similarity measures, as formulated in integral (1), are dependent on the relative position of both studied molecules in space. Consequently, a procedure capable of arranging the molecular coordinates needs to be established. Two methodologies have been implemented to deal with this question the maximal similarity rule (MSR) [71], which considers that the optimal orientation corresponds to the one that maximizes the value of integral (1) and the topo-geometrical superposition algorithm... [Pg.371]

Similarly among the primary fragment ions of alcohol s ion [M — RJ+, forming due to the loss of the maximal radical, is represented by the maximal peak (Scheme 5.6). An important consequence of this rule involves the fact that if an intense peak of... [Pg.139]

The amount of internal standard added should be similar to the amount of analyte contained in the sample. In fact, errors are minimized when the relative responses for analyte and internal standard are comparable. If a wide concentration range is to be measured, the amount of internal standard should be selected to maximize precision where it is critically important. As a general rule, with a six-level calibration curve, the internal standard concentration, should be between the second and third calibration standard concentration depending on the relative instrument response for analyte and internal standard and precision at the LLOQ level (i.e., internal standard should be closer to LLOQ if the precision of the LLOQ is low). Many bioanalytical laboratories use a written policy for rejecting sample with low internal standard even though it is not suggested by the 2000 Washington conference final report. [Pg.126]

In contrast to technical standards, legal standards are not maxims primarily following laws of nature and the technical purposes to be attained, but standardizing rules of action which aim for order in social co-existence and follow a value system conceived as static. Value-related design of social existence is the primary function of legal standards, while it is only in recent times, and by no means generally, that technical standards have taken on a similar function. Nevertheless, there are subareas where the functions run parallel. [Pg.391]

Behind every seemingly stable structure embedded in a changing universe, whether massive star or tiny human, is a flow of energy passing through that structure like a river. This flow spreads out (and keeps the laws of thermodynamics) as the structure stays the same. If the flow is the energy of random motion, we call it heat. If the flow is matter in a liquid or gas state, we call it a fluid. Either way, the flows follow rules that maximize efficiency. As they flow, they build similar structures across the universe that look just like trees. [Pg.71]


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