Literature DB >> 15889163

Enhancement of the chemical semantic web through the use of InChI identifiers.

Simon J Coles1, Nick E Day, Peter Murray-Rust, Henry S Rzepa, Yong Zhang.   

Abstract

Molecules, as defined by connectivity specified via the International Chemical Identifier (InChI), are precisely indexed by major web search engines so that Internet tools can be transparently used for unique structure searches.

Year:  2005        PMID： 15889163     DOI： 10.1039/b502828k

Source DB:  PubMed          Journal:  Org Biomol Chem        ISSN： 1477-0520            Impact factor:   3.876


  28 in total

1.  Lazy structure-activity relationships (lazar) for the prediction of rodent carcinogenicity and Salmonella mutagenicity.

Authors:  Christoph Helma
Journal:  Mol Divers       Date:  2006-05-24       Impact factor: 2.943

2.  Managing, profiling and analyzing a library of 2.6 million compounds gathered from 32 chemical providers.

Authors:  Aurélien Monge; Alban Arrault; Christophe Marot; Luc Morin-Allory
Journal:  Mol Divers       Date:  2006-09-21       Impact factor: 2.943

3.  QSAR-modeling of toxicity of organometallic compounds by means of the balance of correlations for InChI-based optimal descriptors.

Authors:  A A Toropov; A P Toropova; E Benfenati
Journal:  Mol Divers       Date:  2009-05-19       Impact factor: 2.943

4.  Many InChIs and quite some feat.

Authors:  Wendy A Warr
Journal:  J Comput Aided Mol Des       Date:  2015-06-17       Impact factor: 3.686

5.  Identifying unknown metabolites using NMR-based metabolic profiling techniques.

Authors:  Isabel Garcia-Perez; Joram M Posma; Jose Ivan Serrano-Contreras; Claire L Boulangé; Queenie Chan; Gary Frost; Jeremiah Stamler; Paul Elliott; John C Lindon; Elaine Holmes; Jeremy K Nicholson
Journal:  Nat Protoc       Date:  2020-07-17       Impact factor: 13.491

6.  A protocol for generating a high-quality genome-scale metabolic reconstruction.

Authors:  Ines Thiele; Bernhard Ø Palsson
Journal:  Nat Protoc       Date:  2010-01-07       Impact factor: 13.491

7.  Reconstruction and validation of RefRec: a global model for the yeast molecular interaction network.

Authors:  Tommi Aho; Henrikki Almusa; Jukka Matilainen; Antti Larjo; Pekka Ruusuvuori; Kaisa-Leena Aho; Thomas Wilhelm; Harri Lähdesmäki; Andreas Beyer; Manu Harju; Sharif Chowdhury; Kalle Leinonen; Christophe Roos; Olli Yli-Harja
Journal:  PLoS One       Date:  2010-05-14       Impact factor: 3.240

8.  Basic primitives for molecular diagram sketching.

Authors:  Alex M Clark
Journal:  J Cheminform       Date:  2010-10-05       Impact factor: 5.514

9.  Towards a genome-scale kinetic model of cellular metabolism.

Authors:  Kieran Smallbone; Evangelos Simeonidis; Neil Swainston; Pedro Mendes
Journal:  BMC Syst Biol       Date:  2010-01-28

10.  Iron behaving badly: inappropriate iron chelation as a major contributor to the aetiology of vascular and other progressive inflammatory and degenerative diseases.

Authors:  Douglas B Kell
Journal:  BMC Med Genomics       Date:  2009-01-08       Impact factor: 3.063
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