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Quantification of the structure activity cliffs is carried out by pairwise comparisons of compounds and their related measured and predicted activities, an approach similar to that routinely taken by medicinal chemists in the generation of SAR.
Fig. 2 Quantification of the structure in Fig. 1. a Out-of-plane and b in-plane lattice parameters as a function of distance along the pink line shown in Fig. 1.
The program for identification of the nuclear lamina and quantification of the structure is completely described in [ 10].
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Our approach offers a new and complete description and quantification of the structure-function relationship in proteins.
By a computational evaluation of the model's ability generalize and predict the function of unseen proteins, we offer a full quantification of the structure-function relationship.
By evaluating the predictive performance of the model, we provide a comprehensive quantification of the structure-function relationship based only on local structure similarity.
Therefore, meaningful and representative visualizations and quantifications of the structure of the network and its properties are possible.
As he wrote in True Hallucinations (1993): "I succeeded finally in 1974 in achieving a completely formal, mathematical quantification of the fractal structure that I had unearthed inside the structure of the I Ching".
Quantification of the material structure (also referred as microstructure) is the core challenge in this task.
The experimental scanning electron microscopy images, obtained from polished sections of a large 5-mm ring fragment, can be compared directly with the 2-D virtual slice images from randomised 3-D pore networks for direct quantification of the pore structure using image analysis techniques.
Therefore, quantification of the contact structure at any time is essential to assess the compliance with legislation.
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