Scheduling Grid Applications with Software Requirements

The aim of task scheduling is to minimize the makespan of applications, exploiting the best possible way to use shared resources. Applications have requirements which call for customized environments for their execution. One way to provide such environments is to use virtualization on demand. This paper presents two schedulers based on integer linear programming which schedule virtual machines (VMs) in grid resources and tasks on these VMs. The schedulers differ from previous work by the joint scheduling of tasks and VMs and by considering the impact of the available bandwidth on the quality of the schedule. Experiments show the efficacy of the schedulers in scenarios with different network configurations.

Insights into the Molecular Requirements for the Anti-obesity Activity of a Series of CB1 Ligands

Two-dimensional and 3D quantitative structure-activity relationships studies were performed on a series of diarylpyridines that acts as cannabinoid receptor ligands by means of hologram quantitative structure-activity relationships and comparative molecular field analysis methods. The quantitative structure-activity relationships models were built using a data set of 52 CB1 ligands that can be used as anti-obesity agents. Significant correlation coefficients (hologram quantitative structure-activity relationships: r 2 = 0.91, q 2 = 0.78; comparative molecular field analysis: r 2 = 0.98, q 2 = 0.77) were obtained, indicating the potential of these 2D and 3D models for untested compounds. The models were then used to predict the potency of an external test set, and the predicted (calculated) values are in good agreement with the experimental results. The final quantitative structure-activity relationships models, along with the information obtained from 2D contribution maps and 3D contour maps, obtained in this study are useful tools for the design of novel CB1 ligands with improved anti-obesity potency.