Abstract QSAR methods are widely applied in the drug discovery process, both hit?to?lead and lead optimization phase, as well drug-approval process. Most algorithms limited to using molecules input disregard pharmacophores or pharmacophoric features entirely. However, due high level of abstraction, pharmacophore representations provide some advantageous properties for building quantitative SAR ...

Wind turbines and associated parts are susceptible to cyclic stresses, including torque, bending, longitudinal stress, twisting moments. Therefore, research on the resilience of dynamic systems under such high loads is crucial for design future risk‐free operations. The method described in this study beneficial multidimensional structural responses that have undergone sufficient numerical simul...

We present a simulation-based method designed to establish that software developed to fit a specific Bayesian model works properly, capitalizing on properties of Bayesian posterior distributions. We illustrate the validation technique with two examples. The validation method is shown to find errors in software when they exist and, moreover, the validation output can be informative about the nat...