PDB:1GX8

Dumontier Lab

Towards Personalized Medicine


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Biochemical Semantic Web

Introduction

Web search engines like Google are useful in helping you find web pages that you may have an interest in, but they have little capability in answering a question you might have. The reason for this is that information on the web is not represented in a machine understandable format, and as such, cannot be complexly queried nor precisely answered. If information were better structured, then we could use computers to reason about the information and infer knowledge that is explicit in our shared conceptualization, i.e. an ontology. Thus, by combining ontologies with existing information, we will be able to discover new knowledge, in that we will discover links between things that were not explicitly stated, but would be inferred on careful analysis. The primary goal of the Semantic Web is to add semantics to the current Web, in part, by designing ontologies which describe and relate concepts and objects using formal, logic-based representations.

Ontologies

A precise definition of ontologies can be found here. The W3C approved Web Ontology Language or OWL is a knowledge representation language for building Semantic Web ontologies. One variant of OWL, OWL-DL, is based on description logics (DL), a subset of First Order Logic that allows description of complex concepts from simpler ones with an emphasis on decidability of reasoning tasks. In other words, a feature of DLs is that reasoning tasks terminate after a finite amount of time and that the inferences drawn are valid. Reasoning tasks like checking ontology consistency, computing inferences, and realization (classification) can be executed by a computer program called a reasoner over DL ontologies. This is useful because the reasoner can identify inconsistencies and uncover non-obvious relations from our collective knowledge.



Research

Our research aims to capture the semantics of biochemical knowledge such that computer-based inferences about structure and function become possible. The approach involves the design of biochemical ontologies and use of a reasoning-capable knowledge base. This research aims to form a cornerstone of the newly emerging semantic web so as to provide biochemical knowledge in a format that is amenable to computer-based reasoning. In combination with other complimentary efforts, we expect that new semantic links may be formed with our efforts, leading to improved data integration and powerful new data mining opportunities over heterogeneous biochemical knowledge.

Recent Work

See our OWL ontologies for knowledge representation and reasoning on the semantic web.
Describing chemical functional groups in OWL-DL for the classification of chemical compounds.
    PDF PDF sample data
Towards a Semantic Knowledge Base for Yeast Biologists.
    PDF OWL sample data
Integrated OWL and SWRL reasoning plugin for Protege-OWL 3.2.
   PDF software

Additional Resources


Relevant Publications


PDF M Dumontier, N Villanueva-Rosales. Towards Pharmacogenomics Knowledge Discovery on the Semantic Web. 2009. Briefings in Bioinformatics. [PMID:19240125]

PDF Marc-Alexandre Nolin, Peter Ansell, François Belleau, Kingsley Idehen, Philippe Rigault, Nicole Tourigny, Paul Roe, James M Hogan, Michel Dumontier. Bio2RDF Network Of Linked Data. 2008. Semantic Web Challenge, colocated with International Semantic Web Conference (ISWC), Karlsruhe, Germany.

PDF M Dumontier. Biological situational modeling: Defining Molecular Roles in Pathways and Reactions. 2008. OWL Experiences and Design (OWLED-EU 2008), Karlsruhe, Germany.

PDF M Dumontier, N Villanueva-Rosales, L Ferres. Semantic annotation and question answering of statistical graphs. 2008. Lecture Notes in Computer Science (LNCS), colocated with 7th Mexican International Conference on Artificial Intelligence (MICAI-2008), Mexico City, Mexico.

PDF N Villanueva-Rosales, M Dumontier. yOWL: an Ontology-Driven Knowledge Base for Yeast Biologists. 2008. Journal of Biomedical Informatics. 41(5):779-789. [PMID:18562252]

PDF M Konyk, A De Leon, M Dumontier. Chemical Knowledge for the Semantic Web. 2008. Proceedings of Data Integration in the Life Sciences (DILS2008), Lecture Notes in Computer Science. LNBI 5109:169-176, Evry, France.

PDF M Dumontier, N Villanueva-Rosales. Modeling Life Science Knowledge with OWL 1.1. 2008. OWL Experiences and Design (OWLED-DC 2008), Washington DC, USA.

PDF A De Leon, M Dumontier. Publishing ontologies with Presto. 2008. OWL Experiences and Design (OWLED-DC 2008), Washington DC, USA.

PDF M Dumontier, M Faizan, J Obeng, N Villanueva-Rosales. Modeling the Pharmacogenomics of Depression. 2008. Semantic Web for Health Care and Life Sciences (HCLS 2008), colocated with World Wide Web Conference (WWW2008), Beijing, China.

PDF A De Leon Battista, N Villanueva-Rosales, M Palenychka, M Dumontier. SMART: A Web-Based, Ontology-Driven, Semantic Web Query Answering Application. 2007. Semantic Web Challenge, International Semantic Web Conference (ISWC 2007), Busan, South Korea. [website]

PDF M Dumontier, N Villanueva-Rosales. Three-Layer OWL Ontology Design. 2007. Second International Workshop on Modular Ontologies (WOMO07), colocated with Knowledge Capture (KCAP2007), Whistler, Canada. [website]

PDF L Ferres, M Dumontier, N Villanueva-Rosales. Semantic Query Answering with Time-Series Graphs. 2007. The 3rd International Workshop on Vocabularies, Ontologies and Rules for The Enterprise (VORTE 2007), colocated with The 11th IEEE International EDOC Conference (EDOC 2007), Annapolis, USA.

PDF N Villanueva-Rosales, M Dumontier. Describing chemical functional groups in OWL-DL for the classification of chemical compounds. 2007. OWL: Experiences and Directions (OWLED 2007), colocated with European Semantic Web Conference (ESWC2007), Innsbruck, Austria.

PDF N Villanueva-Rosales, K Osbahr, M Dumontier. Towards a Semantic Knowledge Base for Yeast Biologists. 2007. First International Workshop on Health Care and Life Sciences Data Integration for the Semantic Web (HCLS-DI 2007), colocated with World Wide Web Conference (WWW2007), Banff, Canada.