Title
PLIO: an ontology for formal description of protein-ligand interactions.
Abstract
Motivation: Biomedical ontologies have proved to be valuable tools for data analysis and data interoperability. Protein-ligand interactions are key players in drug discovery and development; however, existing public ontologies that describe the knowledge space of biomolecular interactions do not cover all aspects relevant to pharmaceutical modelling and simulation. Results: The protein-ligand interaction ontology (PLIO) was developed around three main concepts, namely target, ligand and interaction, and was enriched by adding synonyms, useful annotations and references. The quality of the ontology was assessed based on structural, functional and usability features. Validation of the lexicalized ontology by means of natural language processing (NLP)-based methods showed a satisfactory performance (F-score = 81%). Through integration into our information retrieval environment we can demonstrate that PLIO supports lexical search in PubMed abstracts. The usefulness of PLIO is demonstrated by two use-case scenarios and it is shown that PLIO is able to capture both confirmatory and new knowledge from simulation and empirical studies.
Year
DOI
Venue
2011
10.1093/bioinformatics/btr256
BIOINFORMATICS
Keywords
Field
DocType
proteins,protein binding,data mining,natural language processing,ligands
Protein ligand,Ontology (information science),Data mining,Ontology,Open Biomedical Ontologies,Computer science,Usability,Formal description,Bioinformatics,Knowledge space,Empirical research
Journal
Volume
Issue
ISSN
27
12
1367-4803
Citations 
PageRank 
References 
4
0.41
13
Authors
6
Name
Order
Citations
PageRank
Olga Ivchenko140.41
Erfan Younesi2383.28
Mohammad Shahid3144.44
Antje Wolf4142.32
Bernd Müller5358.10
Martin Hofmann-Apitius637230.08