The medical objective of such models would be, for instance, to provide the pathologist with insight in interpreting molecular tissue content of areas that do not lend themselves for straightforward human classification. Particularly we address issues regarding inherent ordering of the model variables ...
Molecular docking using the GBVI/WSA ΔG rescoring method was applied to screen the best docking pose between ALR2 and compound 14. The results showed that the pyrrole and imidazole ring systems were binding to the pocket of ALR2 by H–π and π–π conjugate bonds, respectively (Figure 5...