Design of novel antituberculosis compounds using graph-theoretical and substructural approaches

The increasing resistance of Mycobacterium tuberculosis to the existing drugs has alarmed the worldwide scientific community. In an attempt to overcome this problem, two models for the design and prediction of new antituberculosis agents were obtained. The first used a mixed approach, containing descriptors based on fragments and the topological substructural molecular design approach (TOPS-MODE) descriptors. The other model used a combination of two-dimensional (2D) and three-dimensional (3D) descriptors. A data set of 167 compounds with great structural variability, 72 of them antituberculosis agents and 95 compounds belonging to other pharmaceutical categories, was analyzed. The first model showed sensitivity, specificity, and accuracy values above 80% and the second one showed values higher than 75% for these statistical indices. Subsequently, 12 structures of imidazoles not included in this study were designed, taking into account the two models. In both cases accuracy was 100%, showing that the methodology in silico developed by us is promising for the rational design of antituberculosis drugs.

Using ant colonies for solve the multiprocessor task graph scheduling

The problem of scheduling a parallel program presented by a weighted directed acyclic graph (DAG) to the set of homogeneous processors for minimizing the completion time of the program has been extensively studied as academic optimization problem which occurs in optimizing the execution time of parallel algorithm with parallel computer.In this paper, we propose an application of the Ant Colony Optimization (ACO) to a multiprocessor scheduling problem (MPSP). In the MPSP, no preemption is allowed and each operation demands a setup time on the machines. The problem seeks to compose a schedule that minimizes the total completion time.We therefore rely on heuristics to find solutions since solution methods are not feasible for most problems as such. This novel heuristic searching approach to the multiprocessor based on the ACO algorithm a collection of agents cooperate to effectively explore the search space.A computational experiment is conducted on a suit of benchmark application. By comparing our algorithm result obtained to that of previous heuristic algorithm, it is evince that the ACO algorithm exhibits competitive performance with small error ratio.

Use Multilevel Graph Partitioning Scheme to solve traveling salesman problem

The traveling salesman problem is although looking very simple problem but it is an important combinatorial problem. In this thesis I have tried to find the shortest distance tour in which each city is visited exactly one time and return to the starting city. I have tried to solve traveling salesman problem using multilevel graph partitioning approach.Although traveling salesman problem itself very difficult as this problem is belong to the NP-Complete problems but I have tried my best to solve this problem using multilevel graph partitioning it also belong to the NP-Complete problems. I have solved this thesis by using the k-mean partitioning algorithm which divides the problem into multiple partitions and solving each partition separately and its solution is used to improve the overall tour by applying Lin Kernighan algorithm on it. Through all this I got optimal solution which proofs that solving traveling salesman problem through graph partition scheme is good for this NP-Problem and through this we can solved this intractable problem within few minutes.Keywords: Graph Partitioning Scheme, Traveling Salesman Problem.

From the road network database to a graph for localization purposes

The problems of finding best facility locations require complete and accurate road network with the corresponding population data in a specific area. However the data obtained in road network databases usually do not fit in this usage. In this paper we propose our procedure of converting the road network database to a road graph which could be used in localization problems. The road network data come from the National road data base in Sweden. The graph derived is cleaned, and reduced to a suitable level for localization problems. The population points are also processed in ordered to match with that graph. The reduction of the graph is done maintaining most of the accuracy for distance measures in the network.

Leveraging new plans in AgentSpeak(PL)

In order to facilitate the development of agent-based software, several agent programming languages and architectures, have been created. Plans in these architectures are often self-contained procedures with an associated triggering event and a context condition, while any further information about the consequences of executing a plan is absent. However, agents designed using such an approach have limited flexibility at runtime, and rely on the designer’s ability to foresee all relevant situations an agent might have to handle. In order to overcome this limitation, we have created AgentSpeak(PL), an interpreter capable of performing state-space planning to generate new high-level plans. As the planning module creates new plans, the plan library is expanded, improving performance over time. However, for new plans to be useful in the long run, it is critical that the context condition associated with new plans is carefully generated. In this paper we describe a plan reuse technique aimed at improving an agent’s runtime performance by deriving optimal context conditions for new plans, allowing an agent to reuse generated plans as much as possible.

Comentários e sugestões sobre o Projeto de Lei de Crimes Eletrônicos (PL n. 84/99)

O presente documento volta-se ao PLC 89/03, em substitutivo apresentado durante o seu trâmite no Senado Federal, com o objetivo de analisar problemas relacionados à abrangência e imprecisão do texto legal, e aos efeitos colaterais de extrema gravidade por elas provocados. Tais problemas ocorrem sobremaneira com relação aos artigos 285-A, 285-B, 163-A em seu parágrafo primeiro, inciso VII do artigo 6° e inciso III do artigo 22. Ainda que a intenção do projeto seja a de criminalizar somente condutas graves como a subtração de senhas e a disseminação de vírus, conclui a análise, a redação dos artigos referidos permite que condutas triviais e cotidianas entre usuários da rede mundial de computadores encontrem-se abrangidas pelos tipos penais estabelecidos pelo projeto, com potencial criminalização de um grande número de pessoas pela prática de atos que em sua maioria são legais ou regulados como ilícitos civis em função do seu menor potencial ofensivo.