Sentence examples for predicting activities from inspiring English sources

In order to widen the model scope, linear interaction energy was used as a tool for predicting activities of other genotypes based on the docked ligand poses while mutation binding energy was used to investigate the effect of each amino acid mutation in genotype 4. The model was applied for structure-based fragment hopping by screening a library designed by reaction enumeration.

In 2009, Greeley et al. proposed calculated data named volcano plot for predicting activities of Pt-based alloy materials [50], and this plot showed reliable correlation with recent reported findings [51].

Inverse QSAR requires to first building a QSAR equation predicting activities from structure and then either (1) inverting the equation and enumerating structures matching a given activity [37] or (2) searching in the chemical space structures similar to those used to build the QSAR equation [33] but having optimized activities.

In recent years, efforts have been made towards predicting activities of mutant proteins.

We selected the following 7 optimum descriptors for predicting activities: ALogP, Num_Hydrogens, Molecular_Volume, CHI_3_C, CHI_V_3_C, JY, and Jurs_RPSA.

The model provided a 3D fingerprint of the compounds which helped in developing a relationship of physiochemical parameters with structure and biological activity, making it capable of predicting activities of novel compounds.

These prediction models are acceptable for predicting activity of PXR protein.

This validates that the generated data set can be useful for predicting activity for novel compounds and for benchmarking studies.

In contrast, the models showed only weak performance predicting activity for the ab2B (MCC = 0.17) and 3B ORNs (MCC = 0.34).

Yet, fears of re-injury were not significant in predicting activity levels longitudinally.

Thus, an efficient means of predicting activity in vivo models remains desirable for compounds with anti-proliferative activity in vitro.