Sentence examples for be the reference partition from inspiring English sources

Instead of selecting random partition, the partition that is generated by the method, which showed high ability to separate active from inactive molecules in our experiments, is suggested to be the reference partition U0; and this method is the Ward's clustering (the current standard clustering method for Chemoinformatics applications).

Like standard statistical optimization procedures such as ordinary least-squares regression, maximum parsimony or maximum likelihood phylogenetic inference, which do not assume that the global optimum can actually be obtained [60], clustering optimization does not presuppose that full agreement between partitions can be obtained and that the reference partition is completely error-free (see above).

For a restricted series of homologous chemicals, the chemical−receptor association constant K in eq 25 sometimes is dependent on the reference partition coefficient P, and can be substituted by eq 4 (section ) with the exponent.

The partition coefficients (P x ) of a set of compounds in a solvent system that is capable of similar interactions with the studied compounds as the reference system, are related to the reference partition coefficient P via the Collander equation as where A x (A represents accumulation) and β x are empirical adjustable coefficients, which are specific for system x.

To assess this effect, we introduced a defined proportion of errors (between 5% and 50%, step width was 5%) in the reference partition before optimizing the parameters.

The properties are represented by the reference partition coefficients, acidity, reactivity, and other parameters, which may also include three-dimensional (3D) structures of chemicals and structure-related characteristics.

(56) The core/water partition coefficient, PC, is related to the reference partition coefficient, P, according to the Collander equation (eq 1) in section.

Lipophilicity is precisely characterized by the reference partition coefficient and, therefore, three levels of lipophilicity are distinguished in Figure 7. Amphiphilicity is considered in a semi-quantitative way, with high magnitudes expected for compounds with separated polar and nonpolar parts, and low magnitudes otherwise.

If the steps (1) and (2) are repeated for a range of clustering parameters, the best parameters, globally, are those for which the agreement with the reference partition is highest.

Clearances were inversely related to the reference partition coefficients.

For reactive chemicals, the toxicities were conceptually correlated with the reference partition coefficients and reactivies.