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Journal of Cheminformatics

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Welcome to BMC

We are delighted to announce that Journal of Cheminformatics is now part of the BMC family of journals. The BMC website already receives over 100 million views per year and has expanded beyond biomedicine into the physical sciences, mathematics and engineering disciplines to offer a wider portfolio of subject fields on a single platform for authors considering open access publishing. Bookmark our new URL and make sure to sign up to our article alerts (https://jcheminf.biomedcentral.com/) so you can keep up with all of the latest research and articles and read more about BMC’s pioneering spirit.

Fig 3. The RInChI Process.

Featured article: International chemical identifier for reactions (RInChI)

The Reaction InChI (RInChI) extends the idea of the InChI, which provides a unique descriptor of molecular structures, towards reactions. Prototype versions of the RInChI have been available since 2011. The first official release (RInChI-V1.00), funded by the InChI Trust, is now available for download (http://www.inchi-trust.org/downloads/). This release defines the format and generates hashed representations (RInChIKeys) suitable for database and web operations. The RInChI provides a concise description of the key data in chemical processes, and facilitates the manipulation and analysis of reaction data.

Articles

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2018

Novel applications of machine learning in cheminformatics
Edited by Ola Spjuth
Collection published: 21 February 2018

2015

Cross journal collection
Jean-Claude Bradley Memorial Series
Edited by Andrew SID Lang, Antony Williams
Collection published: 22 March 2015

2013

6th Joint Sheffield Conference on Chemoinformatics
Collection published: 29 July 2013

2012

The IUPAC International Chemical Identifier (InChI) and its influence on the domain of chemical information
Edited by Antony Williams
Collection published: 13 December 2012

Semantic physical science
Edited by Henry Rzepa, Peter Murray-Rust
Collection published: 3 August 2012

2011

Visions of a semantic molecular future
Collection published: 14 October 2011

RDF technologies in chemistry
Edited by Egon Willighagen, Martin Paul Braendle
Collection published: 13 May 2011

PubChem3D
Collection published: 27 January 2011

Aims and Scope

Journal of Cheminformatics is an open-access journal publishing original peer-reviewed research in all aspects of cheminformatics and molecular modelling.

Read the full scope here.

Call for papers: Proceedings of the 11th International Conference on Chemical Structures

The Journal of Cheminformatics announces a special article collection titled “Proceedings of the 11th International Conference on Chemical Structures”, Guest Edited by Gerard van Westen and Markus Wagener. We invite all authors whose papers were accepted for ICCS 2018 to submit an extended version to this special article collection.

Read more here.

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Editor profiles

Editors-in-Chief:

New Content ItemEgon Willighagen is a researcher in the BiGCaT Department for Bioinformatics and teacher at Maastricht University in the Netherlands.

New Content ItemRajarshi Guha is the Associate Director of Informatics at Vertex Pharmaceuticals where he leads the cheminformatics group that is responsible for informatics needs in high throughput screening.​​​​​​​

Associate Editor:

Nina Jeliazkova, Idea Consult Ltd., Bulgaria

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  • ISSN: 1758-2946
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Journal of Cheminformatics

ISSN: 1758-2946

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