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CHEMCONNECT

Web Service for FAIR data management based on ontologies

ChemConnect , developed by Blurock Consulting AB, is the next generation conntected smart database and repository to answer the needs of the information explosion. The goal of CHEMCONNECT is the be the tool at the center of the research ecosystem and to promote FAIR of Findable, Accessable, Interoperable and Reusable data. The further goal of CHEMCONNECT is to provide the framework of experimental documentation, with protocols, methodologies and device descriptions, for Transparency and Openness Promotion (TOP) trend in scientific publishing. 

CHEMCONNECT service can be said to be a model driven application where the model is defined in the ontology. The ontology data model is currently not used to actually generate software code, though this has been experimented with in the CHEMCONNECT(E. Blurock, 2021; E. S. Blurock, 2019) application (which is at the base of JThermodynamicsCloud). But the ontology definitions do specify, within a Model Driven Architecture (Bučko et al., 2019), the top two levels of abstraction, namely the Computer Independent Model (CIM) and Platform Independent Model (PIM). A common ontology class defines data and operational classes that are common to the three platforms within the system, namely the interface, the background and the database. The ontology is interpreted under runtime by the background service, written in JAVA, and uses the JENA API. SPARQL queries are made, and the answers are converted to appropriate data structures.

interaction framework

CHEMCONNECT is a data management system. CHEMCONNECT consists of several components, each with a very specific task based on the components characterization. In a sense there are three types of components:

  • Data Components: These store the data and information within the data management framework. The component are differentiated by how the data is stored and retrieved efficiently. The retrieval process is governed by the how the component stores the data.There are basically two data components, the scalable noSQL database to store the catalog objects at the core of the database and a RDF framework to provide an efficient search mechanism of the catalog object and the objects within.
  • Programming Components: These components of the framework perform the actual manipulations of the data. The overall architecture of CHEMCONNECT is a Model-View-Controller (MVC) within a client-server framework. The server component, written in JAVA, is the interface to the data models and is accesses through RESTful services. The ‘View’ interface is a GUI client (currently written in Angular).
  • Ontology Components: CHEMCONNECT is a data driven MVC framework where the ontology is the basis for the ‘Model’. The ontology provides the ‘data’ that governs how all the components interact with each other. The ontology gives ‘meaning’ and structure to all the framework components and the data and procedural structures they contain.

publications and slides about CHEMCONNECT

Notes on ChemConnect

Blurock, E. (2021). Ontology for the Semantic Enhancement, Database Definition and Management and Revision Control. In Proceedings of the 13th International Joint Conference on Knowledge Discovery, Knowledge Engineering and Knowledge Management (IC3K 2021) – KEOD; ISBN 978-989-758-533-3; ISSN 2184-3228, SciTePress, pages 226-233. DOI: 10.5220/0010714300003064

Presentation Poster   Presentation as Video

Blurock, E. (2019). Use of Ontologies in Chemical Kinetic Database CHEMCONNECT. In Proceedings of the 11th International Joint Conference on Knowledge Discovery, Knowledge Engineering and Knowledge Management (IC3K 2019) – KEOD; ISBN 978-989-758-382-7; ISSN 2184-3228, SciTePress, pages 240-247. DOI: 10.5220/0008069502400247

Presentation Paper

Blurock, E. S. (2019) CHEMCONNECT: An Ontology-Based Repository of Experimental Devices and Observations. 8th International Conference on Soft Computing, Artificial Intelligence and Applications (SAI 2019), June 29-30, 2019, Copenhagen, Denmark Volume Editors : Natarajan Meghanathan, David wyld(Eds)
ISBN : 978-1-925953-03-9

Presentation 

Using ChemConnect as a base:

JThermodynamicsCloud (an application based on ChemConnect)

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