Journal of Cheminformatics

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.

Featured article - Chemotion-ELN part 2: adaption of an embedded Ketcher editor to advanced research applications

The Ketcher editor, available as an Open Source software package for drawing chemical structures, has been expanded to include several features that allow storage, management and application of templates, as well as the use of symbols for a planning and processing of solid phase synthesis. In addition, tools for the drawing of coordinative bonds to represent e.g. organometallic compounds were added. The editor has been implemented into an Electronic Lab Notebook (ELN) application which enables the use of the Ketcher editor for advanced operations in chemistry research.

Content type: Research article
| 10 January 2019

Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery

Authors: Nicolas Bosc, Francis Atkinson, Eloy Felix, Anna Gaulton, Anne Hersey and Andrew R. Leach
Content type: Research article
| 10 January 2019

LSTMVoter: chemical named entity recognition using a conglomerate of sequence labeling tools

Authors: Wahed Hemati and Alexander Mehler
Content type: Software
| 5 January 2019

BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification

Authors: Yannick Djoumbou-Feunang, Jarlei Fiamoncini, Alberto Gil-de-la-Fuente, Russell Greiner, Claudine Manach and David S. Wishart
Content type: Software
| 3 January 2019

A retrosynthetic analysis algorithm implementation

Authors: Ian A. Watson, Jibo Wang and Christos A. Nicolaou
Content type: Research article
| 21 December 2018

Configurable web-services for biomedical document annotation

Authors: Sérgio Matos

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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.

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Editor profiles

Editors-in-Chief:

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

New Content Item Rajarshi 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

Journal of Cheminformatics

Welcome to BMC

Featured article - Chemotion-ELN part 2: adaption of an embedded Ketcher editor to advanced research applications

Articles

Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery

LSTMVoter: chemical named entity recognition using a conglomerate of sequence labeling tools

BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification

A retrosynthetic analysis algorithm implementation

Configurable web-services for biomedical document annotation

2018

2015

2013

2012

2011

Aims and Scope

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

Latest Tweets

Editor profiles

Editors-in-Chief:

Associate Editor:

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Journal of Cheminformatics

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