Sentence examples for molecular connectivity data from inspiring English sources

3.0  Balloon Balloon creates 3D atomic coordinates from molecular connectivity data via distance geometry and conformer ensembles using a multi-objective genetic algorithm.

One approach for developing molecular connectivity map data is to generate disease-specific protein-drug association profiles computationally by mining bio molecular interaction networks and PubMed literature [ 15].

Figure 9 Example 1: a single-blind challenge [22] elucidated using StrucEluc version 7. The molecular connectivity diagram (MCD) in the left panel consolidates the data from the MF and the spectral data into a single diagram.

Quantitative structure activity relationships (QSARs) have been established based on narcotic mechanism of action and toxicity data to Vibrio fischeri using molecular connectivity indices.

Departures from the geometric mean assumption for the interaction energy between unlike polymer repeat unit pairs i/j computed from experimental data, were correlated with the molecular connectivity indices for the repeat units.

The model is based on the Polanyi-Dubinin (PD) equation, with the limiting pore volume of adsorbent estimated from the pore size distribution (PSD) data, and the adsorption affinity of adsorbate described by the molecular connectivity index (MCI).

The measured VLE data for the CO2-DMC system are then modeled using the Prausnitz Shair activity coefficient method, molecular connectivity index and the Peng Robinson (PR) equation of state.

These results were attributed to greater molecular connectivity and structure development at higher concentrations.

These regions were used for both targeted stereotaxic injections and for connectivity data analysis.

Molecular Connectivity Diagram.

Figure 5 Example of a structure and its Molecular Connectivity Diagram of HMBC connectivities.