Chemical information matters: an e-Research perspective on information and data sharing in the chemical sciences

Recently, a number of organisations have called for open access to scientific information and especially to the data obtained from publicly funded research, among which the Royal Society report and the European Commission press release are particularly notable. It has long been accepted that building research on the foundations laid by other scientists is both effective and efficient. Regrettably, some disciplines, chemistry being one, have been slow to recognise the value of sharing and have thus been reluctant to curate their data and information in preparation for exchanging it. The very significant increases in both the volume and the complexity of the datasets produced has encouraged the expansion of e-Research, and stimulated the development of methodologies for managing, organising, and analysing "big data". We review the evolution of cheminformatics, the amalgam of chemistry, computer science, and information technology, and assess the wider e-Science and e-Research perspective. Chemical information does matter, as do matters of communicating data and collaborating with data. For chemistry, unique identifiers, structure representations, and property descriptors are essential to the activities of sharing and exchange. Open science entails the sharing of more than mere facts: for example, the publication of negative outcomes can facilitate better understanding of which synthetic routes to choose, an aspiration of the Dial-a-Molecule Grand Challenge. The protagonists of open notebook science go even further and exchange their thoughts and plans. We consider the concepts of preservation, curation, provenance, discovery, and access in the context of the research lifecycle, and then focus on the role of metadata, particularly the ontologies on which the emerging chemical Semantic Web will depend. Among our conclusions, we present our choice of the "grand challenges" for the preservation and sharing of chemical information

Knowledge and Metadata Integration for Warehousing Complex Data

With the ever-growing availability of so-called complex data, especially on the Web, decision-support systems such as data warehouses must store and process data that are not only numerical or symbolic. Warehousing and analyzing such data requires the joint exploitation of metadata and domain-related knowledge, which must thereby be integrated. In this paper, we survey the types of knowledge and metadata that are needed for managing complex data, discuss the issue of knowledge and metadata integration, and propose a CWM-compliant integration solution that we incorporate into an XML complex data warehousing framework we previously designed.Comment: 6th International Conference on Information Systems Technology and its Applications (ISTA 07), Kharkiv : Ukraine (2007

Heterogeneous data source integration for smart grid ecosystems based on metadata mining

The arrival of new technologies related to smart grids and the resulting ecosystem of applications andmanagement systems pose many new problems. The databases of the traditional grid and the variousinitiatives related to new technologies have given rise to many different management systems with several formats and different architectures. A heterogeneous data source integration system is necessary toupdate these systems for the new smart grid reality. Additionally, it is necessary to take advantage of theinformation smart grids provide. In this paper, the authors propose a heterogeneous data source integration based on IEC standards and metadata mining. Additionally, an automatic data mining framework isapplied to model the integrated information.Ministerio de Economía y Competitividad TEC2013-40767-

Knowledge Search within a Company-WIKI

The usage of Wikis for the purpose of knowledge management within a business company is only of value if the stored information can be found easily. The fundamental characteristic of a Wiki, its easy and informal usage, results in large amounts of steadily changing, unstructured documents. The widely used full-text search often provides search results of insufficient accuracy. In this paper, we will present an approach likely to improve search quality, through the use of Semantic Web, Text Mining, and Case Based Reasoning (CBR) technologies. Search results are more precise and complete because, in contrast to full-text search, the proposed knowledge-based search operates on the semantic layer

Template Mining for Information Extraction from Digital Documents

published or submitted for publicatio

A Machine Learning Based Analytical Framework for Semantic Annotation Requirements

The Semantic Web is an extension of the current web in which information is given well-defined meaning. The perspective of Semantic Web is to promote the quality and intelligence of the current web by changing its contents into machine understandable form. Therefore, semantic level information is one of the cornerstones of the Semantic Web. The process of adding semantic metadata to web resources is called Semantic Annotation. There are many obstacles against the Semantic Annotation, such as multilinguality, scalability, and issues which are related to diversity and inconsistency in content of different web pages. Due to the wide range of domains and the dynamic environments that the Semantic Annotation systems must be performed on, the problem of automating annotation process is one of the significant challenges in this domain. To overcome this problem, different machine learning approaches such as supervised learning, unsupervised learning and more recent ones like, semi-supervised learning and active learning have been utilized. In this paper we present an inclusive layered classification of Semantic Annotation challenges and discuss the most important issues in this field. Also, we review and analyze machine learning applications for solving semantic annotation problems. For this goal, the article tries to closely study and categorize related researches for better understanding and to reach a framework that can map machine learning techniques into the Semantic Annotation challenges and requirements

Semantic data mining and linked data for a recommender system in the AEC industry

Even though it can provide design teams with valuable performance insights and enhance decision-making, monitored building data is rarely reused in an effective feedback loop from operation to design. Data mining allows users to obtain such insights from the large datasets generated throughout the building life cycle. Furthermore, semantic web technologies allow to formally represent the built environment and retrieve knowledge in response to domain-specific requirements. Both approaches have independently established themselves as powerful aids in decision-making. Combining them can enrich data mining processes with domain knowledge and facilitate knowledge discovery, representation and reuse. In this article, we look into the available data mining techniques and investigate to what extent they can be fused with semantic web technologies to provide recommendations to the end user in performance-oriented design. We demonstrate an initial implementation of a linked data-based system for generation of recommendations