Sentence examples for by modeling the compound from inspiring English sources

By modeling the compound fragmentation as a tree, we make the implicit assumption that each fragment in the fragmentation spectrum is generated by a single fragmentation pathway.

These algorithms rank compounds by modeling the binding pose of a query molecule in the binding pocket of the target protein, followed by the prediction of binding affinity from molecular interactions.

The 3D structures of the active 5-triphosphate form of the organic compounds were obtained by modeling with the Corina unit of the Tsar 3.3 (Accelrys Inc).

Statistical significance of differences between the tumour response categories (CR, PR, SD, PD) was obtained by fitting a mixed model using the compound symmetry assumption and the Kenward Roger method.

The software package includes a metabolite library constructed by chemically modeling compounds of interest using their peak center and J-coupling information.

For the discrete risk model, Tan and Yang [16] propose a randomized dividend strategy by modifying the compound binomial model.

This is compounded by the challenge of modelling the propagation of cracks in heterogeneous materials.

These findings demonstrate that the major clinical manifestations of DM in specific tissues can be modelled by compound loss of Mbnl protein activity.

In this case, the evaluation of whether the model is appropriate for a particular target chemical is based on the accuracy of the predictions produced by the model for compounds that are similar to the target compound, and for which there are experimental results.

The selectivity displayed by the synthesised model compound 2 towards Cu2 + ions ascertained the participation of pyridine N′s of DPA as the major binding sites.

Finally, inter-association equilibrium constants of phenolic/P2VP and phenolic/P4VP blends were determined by model compounds.