Information retrieval and text mining technologies for chemistry

M Krallinger, O Rabal, A Lourenco, J Oyarzabal… - Chemical …, 2017 - ACS Publications
Efficient access to chemical information contained in scientific literature, patents, technical
reports, or the web is a pressing need shared by researchers and patent attorneys from …

Chemical space and biology.

CM Dobson - Nature, 2004 - nature.com
Chemical space—which encompasses all possible small organic molecules, including those
present in biological systems—is vast. So vast, in fact, that so far only a tiny fraction of it has …

Extraction of chemical structures and reactions from the literature

DM Lowe - 2012 - repository.cam.ac.uk
The ever increasing quantity of chemical literature necessitates the creation of automated
techniques for extracting relevant information. This work focuses on two aspects: the …

Chemical name to structure: OPSIN, an open source solution

DM Lowe, PT Corbett, P Murray-Rust, RC Glen - 2011 - ACS Publications
We have produced an open source, freely available, algorithm (Open Parser for Systematic
IUPAC Nomenclature, OPSIN) that interprets the majority of organic chemical nomenclature …

High-throughput identification of chemistry in life science texts

P Corbett, P Murray-Rust - International Symposium on Computational Life …, 2006 - Springer
OSCAR3 is an open extensible system for the automated annotation of chemistry in scientific
articles, which can process thousands of articles per hour. This XML annotation supports …

[HTML][HTML] Mining metabolites: extracting the yeast metabolome from the literature

C Nobata, PD Dobson, SA Iqbal, P Mendes, J Tsujii… - Metabolomics, 2011 - Springer
Text mining methods have added considerably to our capacity to extract biological
knowledge from the literature. Recently the field of systems biology has begun to model and …

Web service infrastructure for chemoinformatics

X Dong, KE Gilbert, R Guha, R Heiland… - Journal of chemical …, 2007 - ACS Publications
The vast increase of pertinent information available to drug discovery scientists means that
there is a strong demand for tools and techniques for organizing and intelligently mining this …

Academic librarians at play in the field of cheminformatics: building the case for chemistry research data management

L McEwen, Y Li - Journal of computer-aided molecular design, 2014 - Springer
There are compelling needs from a variety of camps for more chemistry data to be available.
While there are funder and government mandates for depositing research data in the United …

SemanticEye: a semantic web application to rationalize and enhance chemical electronic publishing

O Casher, HS Rzepa - Journal of chemical information and …, 2006 - ACS Publications
SemanticEye, an ontology with associated tools, improves the classification and open
accessibility of chemical information in electronic publishing. In a manner analogous to …

[HTML][HTML] Communication and re-use of chemical information in bioscience

P Murray-Rust, JBO Mitchell, HS Rzepa - Bmc Bioinformatics, 2005 - Springer
The current methods of publishing chemical information in bioscience articles are analysed.
Using 3 papers as use-cases, it is shown that conventional methods using human …