Informatica

This work introduces ALMERIA, a decision-support tool for drug discovery. It estimates compound similarities and predicts activity, considering conformation variability. The methodology spans from data preparation to model selection and optimization. Implemented using scalable software, it handles large data volumes swiftly. Experiments were conducted on a distributed computer cluster using the DUD-E database. Models were evaluated on different data partitions to assess generalization ability with new compounds. The tool demonstrates excellent performance in molecular activity prediction (ROC AUC: 0.99, 0.96, 0.87), indicating good generalization properties of the chosen data representation and modelling. Molecular conformation sensitivity is also evaluated.

In the paper, a cross-layer optimization between application layer and fabric layer is proposed. The aim is to optimize the end-to-end quality of the dynamic grid application as well as efficiently utilizing the grid resources. The application layer QoS and fabric layer QoS are closely interrelated in Grids since the upper layer service is based on the lower level's capabilities. A fabric level and application level QoS scheduling algorithm is proposed. We formulate the integrated design of resource allocation and user QoS satisfaction control into a constrained optimization problem. The optimization framework provides a layered approach to the sum utility maximization problem. The application layer adaptively adjusts user's resource demand based on the current resource conditions, while the fabric layer adaptively allocates CPU, storage and bandwidth required by the upper layer.

An overview and comparison of mobile agent systems are presented. The rapidly evolving area of software agents is briefly overviewed. The notion of mobility is analyzed in the context of mobile code languages, and its relation to distributed computing (e.g., client–server model), as well as its possible application areas are studied. Finally the need for a combination of mobility with other features is discussed.