There has always been a bit of confusion in the terminology around the subject of computer-assisted structure elucidation (CASE), so let’s define some terms: Structure Elucidation – Determining the structure of truly unknown compounds de-novo from spectroscopic (or earlier by hard core chemistry :)) experiments Structure Identification – Recovering the structure of already known compounds […]
In preparation for a talk about structure elucidation of unknown chemical compounds at AISBM in Paris in October, I laying out a bit of the work that others as well as my group have done over the past 40 years in this area. The topic of this AISBM meeting is “Challenges and advances in the […]
I am delighted to report that the latest Impact Factor for the Journal of Cheminformatics is 4.54 which is a huge improvement over the 3.59 from 2013. Congratulations and thanks to out authors PuTTY , the editorial and production team, our editorial board and my co-editor-in-chief David Wild for making this possible.
I love books. Real books, made of paper, ideally hard cover and properly bound with needle and thread. And I have assembled a nice library over time. On the other hand, due to peculiar choices of where to live and where to work, and due to the nature of my job, I essentially live on […]
Towards a better understanding of lipid metabolism through studies of Drosophila Lipidomics Christoph Steinbeck, Julian Griffin, Steve Russell This project will bring together Drosophila experts at the University of Cambridge (Prof. Steve Russell, Dept of Genetics and Cambridge Systems Biology Centre), the Lipidomics lab led by Julian Griffin at the MRC Unit for Human Nutrition […]
As announced today by Drexel University, Open Science Pioneer and recipient of the Blue Obelisk award Jean-Claude Bradley died yesterday. He was a member of the editorial board of the Journal of Cheminformatic and Editor-in-Chief of the Chemistry Central Journal. But most importantly, he was an inspiring scientist and evangelist of the open science and […]
We have an opening for a Ph.D. position in Chris Steinbeck’s cheminformatics and metabolism team at the European Bioinformatics Institute (EBI) in Cambridge, UK. Ph.D. topics are available in a wide range of areas such as analysis of metabolomics experiments, metabolism, computational natural product biochemistry, elucidation of natural products, text mining and image processing, and […]
As reported in a previous post, the Journal of Cheminformatics has received its first Impact Factor of 3.42. JEditors-in-Chief David Wild (Indiana University, US) and Christoph Steinbeck (European Bioinformatics Institute, UK) commented: “Our aim when we started Journal of Cheminformatics in 2009, was to impact a wide audience with high quality, interesting and relevant cheminformatics […]
We just wanted to update you with some good news from the Journal of Cheminformatics. The Thomson / ISI 2011 Journal Impact Factors were just released, and the Journal of Cheminformatics received an Impact Factor of 3.42 – the first year we have been given an impact factor. This is very high for a new […]
The MetaboLights repository for metabolomics data has officially been launched at the Metabolomics Society Meeting in Washington, June 25-28, 2012. The MetaboLights repository aims to become the first comprehensive, cross-species, cross-platform metabolomics database maintained by one of the major open access data providers in molecular biology. The European Bioinformatics Institute (EMBL-EBI) ensures long-term stability and […]