XML in Motion from Genome to Drug

Information technology (IT) has emerged as a central to the solution of contemporary genomics and drug discovery problems. Researchers involved in genomics, proteomics, transcriptional profiling, high throughput structure determination, and in other sub-disciplines of bioinformatics have direct impact on this IT revolution. As the full genome sequences of many species, data from structural genomics, micro-arrays, and proteomics became available, integration of these data to a common platform require sophisticated bioinformatics tools. Organizing these data into knowledgeable databases and developing appropriate software tools for analyzing the same are going to be major challenges. XML (eXtensible Markup Language) forms the backbone of biological data representation and exchange over the internet, enabling researchers to aggregate data from various heterogeneous data resources. The present article covers a comprehensive idea of the integration of XML on particular type of biological databases mainly dealing with sequence-structure-function relationship and its application towards drug discovery. This e-medical science approach should be applied to other scientific domains and the latest trend in semantic web applications is also highlighted

Interoperable intelligent environmental decision support systems: a framework proposal

In this paper, an approach for the development of Interoperable Intelligent Environmental Decision Support Systems (IEDSS) is proposed. The framework is based upon the cognitive-oriented approach for the development of IEDSS proposed in (Sànchez-Marrè et al., 2008), where three kind of tasks must be built: analysis tasks, synthesis tasks and prognosis tasks. Now, a fourth level will be proposed: the model construction layer, which is normally an off-line task. At each level, interoperability should be possible and inter-level interoperability must be als o achieved. This interoperability is proposed to be obtained using data interchange protocols like Predictive Model Markup Language (PMML), which is a model interc hange protocol based on XML language, using an ontology of data and AI models to characterize data types and AI models and to set-up a common terminology, and using workflows of the whole interoperation scheme. In the future, a Multi-Agent System will be used to implement the software components. An example of use of the pro posed methodology applied to the supervision of a Wastewater Treatment Plant is provided. This Interoperable IEDSS framework will be the first step to an actual interoperability of AI models which will make IEDSS more reliable and accurate to solve complex environmental problems.Peer ReviewedPostprint (published version

Social media analytics: a survey of techniques, tools and platforms

This paper is written for (social science) researchers seeking to analyze the wealth of social media now available. It presents a comprehensive review of software tools for social networking media, wikis, really simple syndication feeds, blogs, newsgroups, chat and news feeds. For completeness, it also includes introductions to social media scraping, storage, data cleaning and sentiment analysis. Although principally a review, the paper also provides a methodology and a critique of social media tools. Analyzing social media, in particular Twitter feeds for sentiment analysis, has become a major research and business activity due to the availability of web-based application programming interfaces (APIs) provided by Twitter, Facebook and News services. This has led to an ‘explosion’ of data services, software tools for scraping and analysis and social media analytics platforms. It is also a research area undergoing rapid change and evolution due to commercial pressures and the potential for using social media data for computational (social science) research. Using a simple taxonomy, this paper provides a review of leading software tools and how to use them to scrape, cleanse and analyze the spectrum of social media. In addition, it discussed the requirement of an experimental computational environment for social media research and presents as an illustration the system architecture of a social media (analytics) platform built by University College London. The principal contribution of this paper is to provide an overview (including code fragments) for scientists seeking to utilize social media scraping and analytics either in their research or business. The data retrieval techniques that are presented in this paper are valid at the time of writing this paper (June 2014), but they are subject to change since social media data scraping APIs are rapidly changing

Engineering simulations for cancer systems biology

Computer simulation can be used to inform in vivo and in vitro experimentation, enabling rapid, low-cost hypothesis generation and directing experimental design in order to test those hypotheses. In this way, in silico models become a scientific instrument for investigation, and so should be developed to high standards, be carefully calibrated and their findings presented in such that they may be reproduced. Here, we outline a framework that supports developing simulations as scientific instruments, and we select cancer systems biology as an exemplar domain, with a particular focus on cellular signalling models. We consider the challenges of lack of data, incomplete knowledge and modelling in the context of a rapidly changing knowledge base. Our framework comprises a process to clearly separate scientific and engineering concerns in model and simulation development, and an argumentation approach to documenting models for rigorous way of recording assumptions and knowledge gaps. We propose interactive, dynamic visualisation tools to enable the biological community to interact with cellular signalling models directly for experimental design. There is a mismatch in scale between these cellular models and tissue structures that are affected by tumours, and bridging this gap requires substantial computational resource. We present concurrent programming as a technology to link scales without losing important details through model simplification. We discuss the value of combining this technology, interactive visualisation, argumentation and model separation to support development of multi-scale models that represent biologically plausible cells arranged in biologically plausible structures that model cell behaviour, interactions and response to therapeutic interventions