Benchmarking therapeutic drug monitoring software: A systematic evaluation of available computer tools

Objectives: Therapeutic drug monitoring (TDM) aims at optimizing treatment by individualizing dosage regimen based on blood concentrations measurement. Maintaining concentrations within a target range requires pharmacokinetic (PK) and clinical capabilities. Bayesian calculation represents a gold standard in TDM approach but requires computing assistance. The aim of this benchmarking was to assess and compare computer tools designed to support TDM clinical activities.¦Methods: Literature and Internet were searched to identify software. Each program was scored against a standardized grid covering pharmacokinetic relevance, user-friendliness, computing aspects, interfacing, and storage. A weighting factor was applied to each criterion of the grid to consider its relative importance. To assess the robustness of the software, six representative clinical vignettes were also processed through all of them.¦Results: 12 software tools were identified, tested and ranked. It represents a comprehensive review of the available software characteristics. Numbers of drugs handled vary from 2 to more than 180, and integration of different population types is available for some programs. Nevertheless, 8 programs offer the ability to add new drug models based on population PK data. 10 computer tools incorporate Bayesian computation to predict dosage regimen (individual parameters are calculated based on population PK models). All of them are able to compute Bayesian a posteriori dosage adaptation based on a blood concentration while 9 are also able to suggest a priori dosage regimen, only based on individual patient covariates. Among those applying Bayesian analysis, MM-USC*PACK uses a non-parametric approach. The top 2 programs emerging from this benchmark are MwPharm and TCIWorks. Others programs evaluated have also a good potential but are less sophisticated or less user-friendly.¦Conclusions: Whereas 2 software packages are ranked at the top of the list, such complex tools would possibly not fit all institutions, and each program must be regarded with respect to individual needs of hospitals or clinicians. Programs should be easy and fast for routine activities, including for non-experienced users. Although interest in TDM tools is growing and efforts were put into it in the last years, there is still room for improvement, especially in terms of institutional information system interfacing, user-friendliness, capability of data storage and automated report generation.

Evaluating conservation and fisheries management strategies by linking spatial prioritization software and ecosystem and fisheries modelling tools

Well-designed marine protected area (MPA) networks can deliver a range of ecological, economic and social benefits, and so a great deal of research has focused on developing spatial conservation prioritization tools to help identify important areas. However, whilst these software tools are designed to identify MPA networks that both represent biodiversity and minimize impacts on stakeholders, they do not consider complex ecological processes. Thus, it is difficult to determine the impacts that proposed MPAs could have on marine ecosystem health, fisheries and fisheries sustainability. Using the eastern English Channel as a case study, this paper explores an approach to address these issues by identifying a series of MPA networks using the Marxan and Marxan with Zones conservation planning software and linking them with a spatially explicit ecosystem model developed in Ecopath with Ecosim. We then use these to investigate potential trade-offs associated with adopting different MPA management strategies. Limited-take MPAs, which restrict the use of some fishing gears, could have positive benefits for conservation and fisheries in the eastern English Channel, even though they generally receive far less attention in research on MPA network design. Our findings, however, also clearly indicate that no-take MPAs should form an integral component of proposed MPA networks in the eastern English Channel, as they not only result in substantial increases in ecosystem biomass, fisheries catches and the biomass of commercially valuable target species, but are fundamental to maintaining the sustainability of the fisheries. Synthesis and applications. Using the existing software tools Marxan with Zones and Ecopath with Ecosim in combination provides a powerful policy-screening approach. This could help inform marine spatial planning by identifying potential conflicts and by designing new regulations that better balance conservation objectives and stakeholder interests. In addition, it highlights that appropriate combinations of no-take and limited-take marine protected areas might be the most effective when making trade-offs between long-term ecological benefits and short-term political acceptability.

Hardware and software in smart decision rooms

Since the last decade research in Group Decision Making area have been focus in the building of meeting rooms that could support the decision making task and improve the quality of those decisions. However the emergence of Ambient Intelligence concept contributes with a new perspective, a different way of viewing traditional decision rooms. In this paper we will present an overview of Smart Decision Rooms providing Intelligence to the meeting environment, and we will also present LAID, an Ambient Intelligence Environment oriented to support Group Decision Making and some of the software tools that we already have installed in this environment.

Introducing numerical analysis tools in engineering: a Scilab user case in electronics course

Software tools in education became popular since the widespread of personal computers. Engineering courses lead the way in this development and these tools became almost a standard. Engineering graduates are familiar with numerical analysis tools but also with simulators (e.g. electronic circuits), computer assisted design tools and others, depending on the degree. One of the main problems with these tools is when and how to start use them so that they can be beneficial to students and not mere substitutes for potentially difficult calculations or design. In this paper a software tool to be used by first year students in electronics/electricity courses is presented. The growing acknowledgement and acceptance of open source software lead to the choice of an open source software tool – Scilab, which is a numerical analysis tool – to develop a toolbox. The toolbox was developed to be used as standalone or integrated in an e-learning platform. The e-learning platform used was Moodle. The first approach was to assess the mathematical skills necessary to solve all the problems related to electronics and electricity courses. Analysing the existing circuit simulators software tools, it is clear that even though they are very helpful by showing the end result they are not so effective in the process of the students studying and self learning since they show results but not intermediate steps which are crucial in problems that involve derivatives or integrals. Also, they are not very effective in obtaining graphical results that could be used to elaborate reports and for an overall better comprehension of the results. The developed tool was based on the numerical analysis software Scilab and is a toolbox that gives their users the opportunity to obtain the end results of a circuit analysis but also the expressions obtained when derivative and integrals calculations, plot signals, obtain vector diagrams, etc. The toolbox runs entirely in the Moodle web platform and provides the same results as the standalone application. The students can use the toolbox through the web platform (in computers where they don't have installation privileges) or in their personal computers by installing both the Scilab software and the toolbox. This approach was designed for first year students from all engineering degrees that have electronics/electricity courses in their curricula.

Algorithms and computational tools for metabolic flux analysis

PhD thesis in Biomedical Engineering

Fifteen years SIB Swiss Institute of Bioinformatics: life science databases, tools and support.

The SIB Swiss Institute of Bioinformatics (www.isb-sib.ch) was created in 1998 as an institution to foster excellence in bioinformatics. It is renowned worldwide for its databases and software tools, such as UniProtKB/Swiss-Prot, PROSITE, SWISS-MODEL, STRING, etc, that are all accessible on ExPASy.org, SIB's Bioinformatics Resource Portal. This article provides an overview of the scientific and training resources SIB has consistently been offering to the life science community for more than 15 years.

SBML qualitative models: a model representation format and infrastructure to foster interactions between qualitative modelling formalisms and tools.

BACKGROUND: Qualitative frameworks, especially those based on the logical discrete formalism, are increasingly used to model regulatory and signalling networks. A major advantage of these frameworks is that they do not require precise quantitative data, and that they are well-suited for studies of large networks. While numerous groups have developed specific computational tools that provide original methods to analyse qualitative models, a standard format to exchange qualitative models has been missing. RESULTS: We present the Systems Biology Markup Language (SBML) Qualitative Models Package ("qual"), an extension of the SBML Level 3 standard designed for computer representation of qualitative models of biological networks. We demonstrate the interoperability of models via SBML qual through the analysis of a specific signalling network by three independent software tools. Furthermore, the collective effort to define the SBML qual format paved the way for the development of LogicalModel, an open-source model library, which will facilitate the adoption of the format as well as the collaborative development of algorithms to analyse qualitative models. CONCLUSIONS: SBML qual allows the exchange of qualitative models among a number of complementary software tools. SBML qual has the potential to promote collaborative work on the development of novel computational approaches, as well as on the specification and the analysis of comprehensive qualitative models of regulatory and signalling networks.

Modeling information in software languages

Ohjelmiston kehitystyökalut käyttävät infromaatiota kehittäjän tuottamasta lähdekoodista. Informaatiota hyödynnetään ohjelmistoprojektin eri vaiheissa ja eri tarkoituksissa. Moderneissa ohjelmistoprojekteissa käytetyn informaation määrä voi kasvaa erittäin suureksi. Ohjelmistotyökaluilla on omat informaatiomallinsa ja käyttömekanisminsa. Informaation määrä sekä erilliset työkaluinformaatiomallit tekevät erittäin hankalaksi rakentaa joustavaa työkaluympäristöä, erityisesti ongelma-aluekohtaiseen ohjelmiston kehitysprosessiin. Tässä työssä on analysoitu perusinformaatiometamalleja Unified Modeling language kielestä, Python ohjelmointikielestä ja C++ ohjelmointikielestä. Metainformaation taso on rajoitettu rakenteelliselle tasolle. Ajettavat rakenteet on jätetty pois. ModelBase metamalli on yhdistetty olemassa olevista analysoiduista metamalleista. Tätä metamallia voidaan käyttää tulevaisuudessa ohjelmistotyökalujen kehitykseen.

Utilización de software libre para el análisis de la evolución de usos del suelo en la cuenca del Segura mediante teledetección

En este trabajo se describe la utilización de herramientas de software libre, básicamente GRASS y R, para obtener una serie de mapas de coberturas del suelo (1976-2006) a partir de imágenes de satélite Landsat MSS y Landsat TM. Se trata de un proyecto concedido a un año, por lo que se requería una metodología que permitiera realizar el análisis de forma rápida y sencilla, aún tratando de aplicar técnicas de clasificación avanzadas. Dada la complejidad del trabajo y la premura de tiempo, se ha tratado de automatizar gran parte del trabajo mediante diversos scripts con BASH y R. (...)

Real-Time software control of neural stimulation in a closed loop Animat system

A recent area for investigation into the development of adaptable robot control is the use of living neuronal networks to control a mobile robot. The so-called Animat paradigm comprises a neuronal network (the ‘brain’) connected to an external embodiment (in this case a mobile robot), facilitating potentially robust, adaptable robot control and increased understanding of neural processes. Sensory input from the robot is provided to the neuronal network via stimulation on a number of electrodes embedded in a specialist Petri dish (Multi Electrode Array (MEA)); accurate control of this stimulation is vital. We present software tools allowing precise, near real-time control of electrical stimulation on MEAs, with fast switching between electrodes and the application of custom stimulus waveforms. These Linux-based tools are compatible with the widely used MEABench data acquisition system. Benefits include rapid stimulus modulation in response to neuronal activity (closed loop) and batch processing of stimulation protocols.

Stock assessment for fishery management - A framework guide to the stock assessment tools of the Fisheries Management Science Programme (FMSP)

This document provides guidelines for fish stock assessment and fishery management using the software tools and other outputs developed by the United Kingdom's Department for International Development's Fisheries Management Science Programme (FMSP) from 1992 to 2004. It explains some key elements of the precautionary approach to fisheries management and outlines a range of alternative stock assessment approaches that can provide the information needed for such precautionary management. Four FMSP software tools, LFDA (Length Frequency Data Analysis), CEDA (Catch Effort Data Analysis), YIELD and ParFish (Participatory Fisheries Stock Assessment), are described with which intermediary parameters, performance indicators and reference points may be estimated. The document also contains examples of the assessment and management of multispecies fisheries, the use of Bayesian methodologies, the use of empirical modelling approaches for estimating yields and in analysing fishery systems, and the assessment and management of inland fisheries. It also provides a comparison of length- and age-based stock assessment methods. A CD-ROM with the FMSP software packages CEDA, LFDA, YIELD and ParFish is included.

Tools for regularizing Array Designs

This paper makes a contribution in bridging the theory and practice of the polyhedral model for designing parallel algorithms. Although the theory of polyhedral model is well developed, designers of massively parallel algorithms are unable to benefit from the theory due to the lack of software tools that incorporate the wide range of transformations that are possible in the model. The Uniformization tool that we developed was the first to integrate a number of techniques and to completely automate the transformation step allowing designers to explore a wide range of feasible designs from high-level specifications.

Software evolution: a graph based model

A model based on graph isomorphisms is used to formalize software evolution. Step by step we narrow the search space by an informed selection of the attributes based on the current state-of-the-art in software engineering and generate a seed solution. We then traverse the resulting space using graph isomorphisms and other set operations over the vertex sets. The new solutions will preserve the desired attributes. The goal of defining an isomorphism based search mechanism is to construct predictors of evolution that can facilitate the automation of ’software factory’ paradigm. The model allows for automation via software tools implementing the concepts.

Software evolution: a graph based model

A model based on graph isomorphisms is used to formalize software evolution. Step by step we narrow the search space by an informed selection of the attributes based on the current state-of-the-art in software engineering and generate a seed solution. We then traverse the resulting space using graph isomorphisms and other set operations over the vertex sets. The new solutions will preserve the desired attributes. The goal of defining an isomorphism based search mechanism is to construct predictors of evolution that can facilitate the automation of ’software factory’ paradigm. The model allows for automation via software tools implementing the concepts.

Um estudo de retas do plano e uma abordagem para o ensino médio com o software GeoGebra

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)