Sentence examples for descriptors that reflect from inspiring English sources

The goal of this work was to develop structure based ATP binding site descriptors that reflect the pharmacological profile of a predefined set of inhibitor molecules.

The goal of this work was to develop ATP binding site descriptors that reflect the pharmacological profile of a predefined set of inhibitor molecules.

The QSAR approach is based on the assumptions that the structure of a molecule contains the features responsible for its physical, chemical, and biological properties, and that variations in the fate within a series of similar structures can be correlated with changes in descriptors that reflect their molecular properties (Reddy and Locke, 1994a; Sabljic, 2001; Walker et al., 2003).

Wiener Polarity Number A descriptor that reflects on atomic connectivity and molecular topology.

Petitjean Topological Shape Index A descriptor that reflects on the topological shape of the molecular graph.

Eccentric Connectivity Index A topological molecular descriptor that reflects on atom connectivity and distance.

Petitjean Geometric Shape Index A descriptor that reflects on the shape of the molecular connectivity graph and factors in distance information.

The spectrophore is a novel descriptor that reflects, in a virtual manner, the way how molecules are binding to a set of artificial receptors, taking into account the spatial interactions between a molecule and its surroundings.

Thus, we added a descriptor that reflected no CLD more clearly.

Molecular connectivity indices consist of 44 descriptor values that reflect simple molecular connectivity and valence connectivity for different path orders, cycle, or cluster size.

Having obtained descriptors of the genes that reflect possibilities of regulation, we perform statistical tests to show that it indeed is possible to explain the periodic classes with cis-regulatory descriptors.