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Chemical named entities recognition: a review on approaches and applications.

ABSTRACT: The rapid increase in the flow rate of published digital information in all disciplines has resulted in a pressing need for techniques that can simplify the use of this information. The chemistry literature is very rich with information about chemical entities. Extracting molecules and their related properties and activities from the scientific literature to "text mine" these extracted data and determine contextual relationships helps research scientists, particularly those in drug development. One of the most important challenges in chemical text mining is the recognition of chemical entities mentioned in the texts. In this review, the authors briefly introduce the fundamental concepts of chemical literature mining, the textual contents of chemical documents, and the methods of naming chemicals in documents. We sketch out dictionary-based, rule-based and machine learning, as well as hybrid chemical named entity recognition approaches with their applied solutions. We end with an outlook on the pros and cons of these approaches and the types of chemical entities extracted.

SUBMITTER: Eltyeb S

PROVIDER: S-EPMC4022577 | biostudies-literature | 2014

REPOSITORIES: biostudies-literature

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Chemical named entities recognition: a review on approaches and applications.

Eltyeb Safaa S Salim Naomie N

Journal of cheminformatics 20140428

The rapid increase in the flow rate of published digital information in all disciplines has resulted in a pressing need for techniques that can simplify the use of this information. The chemistry literature is very rich with information about chemical entities. Extracting molecules and their related properties and activities from the scientific literature to "text mine" these extracted data and determine contextual relationships helps research scientists, particularly those in drug development. ...[more]

PMID: 24834132

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Project description:BackgroundThe past decade has seen an upsurge in the number of publications in chemistry. The ever-swelling volume of available documents makes it increasingly hard to extract relevant new information from such unstructured texts. The BioCreative CHEMDNER challenge invites the development of systems for the automatic recognition of chemicals in text (CEM task) and for ranking the recognized compounds at the document level (CDI task). We investigated an ensemble approach where dictionary-based named entity recognition is used along with grammar-based recognizers to extract compounds from text. We assessed the performance of ten different commercial and publicly available lexical resources using an open source indexing system (Peregrine), in combination with three different chemical compound recognizers and a set of regular expressions to recognize chemical database identifiers. The effect of different stop-word lists, case-sensitivity matching, and use of chunking information was also investigated. We focused on lexical resources that provide chemical structure information. To rank the different compounds found in a text, we used a term confidence score based on the normalized ratio of the term frequencies in chemical and non-chemical journals.ResultsThe use of stop-word lists greatly improved the performance of the dictionary-based recognition, but there was no additional benefit from using chunking information. A combination of ChEBI and HMDB as lexical resources, the LeadMine tool for grammar-based recognition, and the regular expressions, outperformed any of the individual systems. On the test set, the F-scores were 77.8% (recall 71.2%, precision 85.8%) for the CEM task and 77.6% (recall 71.7%, precision 84.6%) for the CDI task. Missed terms were mainly due to tokenization issues, poor recognition of formulas, and term conjunctions.ConclusionsWe developed an ensemble system that combines dictionary-based and grammar-based approaches for chemical named entity recognition, outperforming any of the individual systems that we considered. The system is able to provide structure information for most of the compounds that are found. Improved tokenization and better recognition of specific entity types is likely to further improve system performance.

Project description:Background Species occurrence records are very important in the biodiversity domain. While several available corpora contain only annotations of species names or habitats and geographical locations, there is no consolidated corpus that covers all types of entities necessary for extracting species occurrence from biodiversity literature. In order to alleviate this issue, we have constructed the COPIOUS corpus-a gold standard corpus that covers a wide range of biodiversity entities. Results Two annotators manually annotated the corpus with five categories of entities, i.e. taxon names, geographical locations, habitats, temporal expressions and person names. The overall inter-annotator agreement on 200 doubly-annotated documents is approximately 81.86% F-score. Amongst the five categories, the agreement on habitat entities was the lowest, indicating that this type of entity is complex. The COPIOUS corpus consists of 668 documents downloaded from the Biodiversity Heritage Library with over 26K sentences and more than 28K entities. Named entity recognisers trained on the corpus could achieve an F-score of 74.58%. Moreover, in recognising taxon names, our model performed better than two available tools in the biodiversity domain, namely the SPECIES tagger and the Global Name Recognition and Discovery. More than 1,600 binary relations of Taxon-Habitat, Taxon-Person, Taxon-Geographical locations and Taxon-Temporal expressions were identified by applying a pattern-based relation extraction system to the gold standard. Based on the extracted relations, we can produce a knowledge repository of species occurrences. Conclusion The paper describes in detail the construction of a gold standard named entity corpus for the biodiversity domain. An investigation of the performance of named entity recognition (NER) tools trained on the gold standard revealed that the corpus is sufficiently reliable and sizeable for both training and evaluation purposes. The corpus can be further used for relation extraction to locate species occurrences in literature-a useful task for monitoring species distribution and preserving the biodiversity.

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Chemical named entities recognition: a review on approaches and applications.

Publications

Chemical named entities recognition: a review on approaches and applications.

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