Special Issue "Small Molecule Identification beyond the Crystal Ball - Selected Papers from CASMI"
A special issue of Metabolites (ISSN 2218-1989).
Deadline for manuscript submissions: closed (31 March 2013)
Dr. Steffen Neumann
Department of Stress- and Developmental Biology, Institute of Plant Biochemistry, Weinberg 3, 06120 Halle, Germany
Phone: +49 345 5582 1470
Fax: +49 345 5582 1409
Interests: mass spectrometry; metabolite profiling; metabolite identification; bioinformatics; databases
Dr. Emma Schymanski
Eawag: Swiss Federal Institute of Aquatic Science and Technology, Überlandstrasse 133, 8600 Dübendorf, Switzerland
Interests: non-target environmental screening; mass spectrometry; structure generation; QSARs/QSPRs for candidate selection
The full set of challenges in the CASMI contest (Critical Assessment of Small Molecule Identification) went online a few weeks ago. Now is the time to plan the special issue of the MDPI journal Metabolites, which will make up the proceedings of CASMI. Please also note that we will send a mail to the casmi-announce mailing list shortly, with updates on the CASMI participation and evaluation details. Remember to sign up to the list(s) if you haven’t already.
Call for Papers: CASMI proceedings
The special issue will contain a summary where the organisers give details about the challenge compounds, the evaluation measures and comment on the submissions. But the main content will be your articles about your participation: we want descriptions of how you actually tackled the challenges, which steps were automagic and, if necessary, where manual intervention was required. If your approach was published previously, please focus on what is relevant for the CASMI challenges and improvements that have been made since the last publication. All articles will be peer-reviewed by at least two reviewers from the community. There is no actual page limit, but the reviews will check that the length is adequate.
Dr. Emma Schymanski
Dr. Steffen Neumann
31.03.2013 Submission deadline for full papers in the journal Metabolites (MDPI.com)
31.12.2012 Last day of early-bird article pre-registration
Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. Papers will be published continuously (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as communications are invited.
Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are refereed through a peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Metabolites is an international peer-reviewed Open Access quarterly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) is 300 CHF per accepted paper for papers submitted after 1 January 2013. English correction and/or formatting fees of 250 CHF (Swiss Francs) will be charged in certain cases for those articles accepted for publication that require extensive additional formatting and/or English corrections.
Article: Applying Tandem Mass Spectral Libraries for Solving the Critical Assessment of Small Molecule Identification (CASMI) LC/MS Challenge 2012
Metabolites 2013, 3(2), 312-324; doi:10.3390/metabo3020312
Received: 1 April 2013; in revised form: 16 April 2013 / Accepted: 17 April 2013 / Published: 26 April 2013| Download PDF Full-text (124 KB) | Download XML Full-text | Supplementary Files
Metabolites 2013, 3(2), 397-411; doi:10.3390/metabo3020397
Received: 1 April 2013; in revised form: 8 May 2013 / Accepted: 10 May 2013 / Published: 21 May 2013| Download PDF Full-text (243 KB) | Download XML Full-text
Review: CASMI: And the Winner is . . .
Metabolites 2013, 3(2), 412-439; doi:10.3390/metabo3020412
Received: 7 April 2013; in revised form: 14 May 2013 / Accepted: 16 May 2013 / Published: 24 May 2013| Download PDF Full-text (639 KB)
Metabolites 2013, 3(2), 440-462; doi:10.3390/metabo3020440
Received: 28 March 2013; in revised form: 16 May 2013 / Accepted: 17 May 2013 / Published: 28 May 2013| Download PDF Full-text (417 KB) | Supplementary Files
Article: Metabolite Identification through Machine Learning— Tackling CASMI Challenge Using FingerID
Metabolites 2013, 3(2), 484-505; doi:10.3390/metabo3020484
Received: 1 April 2013; in revised form: 24 May 2013 / Accepted: 30 May 2013 / Published: 6 June 2013| Download PDF Full-text (626 KB)
Metabolites 2013, 3(2), 506-516; doi:10.3390/metabo3020506
Received: 8 April 2013; in revised form: 3 June 2013 / Accepted: 4 June 2013 / Published: 13 June 2013| Download PDF Full-text (236 KB)
Metabolites 2013, 3(3), 517-538; doi:10.3390/metabo3030517
Received: 1 April 2013; in revised form: 25 May 2013 / Accepted: 7 June 2013 / Published: 25 June 2013| Download PDF Full-text (2206 KB)
Metabolites 2013, 3(3), 623-636; doi:10.3390/metabo3030623
Received: 24 April 2013; in revised form: 29 July 2013 / Accepted: 30 July 2013 / Published: 5 August 2013| Download PDF Full-text (572 KB)
Last update: 13 March 2013