期刊名称：CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
 期刊简介(About the journal)
投稿须知(Instructions to Authors)
编辑部信息(Editorial Board)
About the journal
Chemometrics and Intelligent Laboratory Systems publishes original research papers, short communications,
reviews, tutorials and software descriptions reporting on novel developments in techniques for chemistry and related disciplines which are characterised by the application of statistical and computer methods.
The journal deals with the following topics:
Chemometrics: the chemical discipline that uses mathematical and statistical methods to design or select optimal procedures and experiments, and to provide maximum chemical information by analysing chemical data
Developments in statistical theory and mathematics with application to chemistry
Application (case studies) of statistical and computational methods
Quantitative structure activity relationships
Chemical process analysis
Modelling of processes in industrial and other environments
Intelligent laboratory systems, including robotics, the applications of expert systems or knowledge systems, self optimising instruments and planned organic synthesis
New software, and well characterised data sets to test software performance
Imaging techniques and graphical software applied in chemistry
Data mining of chemical data
Instructions to Authors
Chemometrics and Intelligent Laboratory Systems publishes articles reporting on novel developments in laboratory techniques for chemistry and related disciplines which are characterized by the application of statistical and computer methods.
The journal deals with the following topics:
Chemometrics: the chemical discipline that uses mathematical and statistical methods to design or select optimal procedures and experiments, and to provide maximum chemical information by analyzing chemical data;
- Developments in statistical theory and mathematics with application to chemistry;
- Intelligent laboratory systems, including self-optimizing instruments and planned organic synthesis
- Application (case studies) of statistical and computational methods;
- Quantitative Structure Activity Relationships;
- Chemical process analysis;
- Modelling of processess in industrial and other environments;
- Intelligent laboratory systems, including robotics, the applications of expert systems or knowledge systems, self optimising instruments and planned organic synthesis;
- New software, and well characterised data sets to test software performance;
- Imaging techniques and graphical software applied in chemistry;
- Data mining of chemical data;
2. Types of contributions
The journal publishes original research papers, short communications, tutorials and reviews. Tutorials and reviews are written by invitation of the Editors, who welcome suggestions for subjects. Short communications are usually complete descriptions of limited investigations, and should generally not exceed four printed pages. The journal also participates actively in software dissemination through articles on software developments, software descriptions and reviews of software.
2.1. Mathematical papers
The journal publishes papers from all areas of mathematics (including computer science, numerical methods, operations research, probability and statistics) that are clearly written and advance the fields of chemistry and chemometrics. The motivation and results of the paper must be understandable to chemists and chemometricians, but additional sections giving technical details are also welcomed. The level of the papers is expected to be comparable with that of existing professional mathematical science journals.
2.2. Software descriptions
The journal invites for publication software descriptions of 1-5 pages. Emphasis should be laid on the quality, performance and relevance of the software to chemometrics, not on the novelty of the mathematics or the algorithms.
These descriptions should contain:
a short description of the mathematical or chemical background (if relevant) a sample of the input (if relevant) and the output a description of the configurations on which the software runs key performance figures (number of variables treated, typical running times, etc.) details about the manual offer: this can be either an offer to send a listing plus a floppy disk for a sum not exceeding US$ 25 to take care of expenses, or the following sentence:
"It is intended to commercialize this software product. Please contact the authors for more details."
No mention of costs or other commercial details may be made.
Details of the reviewing procedure:
The journal or its Editors cannot take on any responsibility for the functioning of the software. A review is, however, necessary. The authors must find at least one reviewer, outside their own institute, who will independently implement the software on his own computer. His declaration that he has been able to implement the program must be added to the manuscript and his name will be published under the heading "independently tested by". The Editors may require that the program is submitted to a second reviewer if they feel that this is necessary.
2.3. Software reviews
The journal regularly publishes reviews of commercially available software.
2.4. Tutorials and reviews
If tutorials and reviews are submitted without prior consultation with the Editors, they will be refereed in the usual manner. However, to avoid duplication of material potential authors are advised to submit a synopsis in advance. Acceptance of the synopsis does not commit the Editors to acceptance of the article. It does, however, give the author priority in the subject area and assures the author that the subject area is relevant.
Tutorials do not involve original research nor should they present scientific results that have not yet been published. However, novel mathematical ways of approaching chemical problems, putting example data through improved algorithms, and example experiments are acceptable.
3. Submission of papers
Manuscripts should be submitted on disk, accompanied by three hard copies (exact print-outs of the text) to one of the Editors at the following addresses:
Professor D.L. Massart, Farmaceutisch Instituut, Vrije Universiteit Brussel, Laarbeeklaan 103, B-1090 Brussels, Belgium (Editor-in-Chief). E-mail: massart@vub.vub.ac.be
Professor P. Minkkinen, Lappeenranta University of Technology, P.O Box 20, FIN-53851 Lappeenranta, Finland. E-mail: Pentti.Minkkinen@lut.fi
Professor C.H. Spiegelman, Statistics Department, Texas A&M University, College Station, TX 77843, USA (Editor for Statistics). E-mail: stats@tamvm1.tamu.edu
Professor P.D. Wentzell, Trace Analysis Research Center, Department of Chemistry, Dalhouisie University, Halifax, NS, Canada B3H 4J3. E-mail: Wentzell@chem1.chem.dal.ca
Tutorials and contributions to the Monitor Section may be submitted to the Associate Editors:
Professor W.J. Dunn III, Department of Medicinal Chemistry & Pharmacognosy, University of Illinois at Chicago, 833 S. Wood St., M/C 781, Chicago, IL 60612, USA. E-mail: WJDIII@uic.edu
Professor D.B. Hibbert, Head, Dept. of Analytical Chemistry, University of New South Wales, Sydney, NSW 2052, Australia. E-mail: b.hibbert@unsw.edu.au
Professor P.K. Hopke, Clarkson University, Box 5810, Potsdam, NY 13699-5810, USA. E-mail: hopkepk@draco.clarkson.edu
Authors may suggest names of possible reviewers for their paper. They may also suggest the names of persons whom they do not want to review the paper. The Editors try to use at least one reviewer who has been suggested by the authors.
Submission of a paper implies that it has not been published elsewhere, either in the same or another language, whether in full or abridged form, and is not under consideration elsewhere. Contributions are accepted on the understanding that the authors have obtained the necessary authority for publication. Upon acceptance of an article by the journal, author(s) will be asked to transfer the copyright of the article to the publisher. This transfer will ensure the widest possible dissemination of information.
4. Manuscripts
The hard copy manuscripts should be printed out in double spacing on consecutively numbered pages of uniform size. The manuscript should be preceded by a sheet of manuscript paper carrying the title of the paper and the name, full postal address, telephone and fax number, and e-mail address of the person to whom the proofs are to be sent. As a rule, papers should be divided into numbered sections, headed by a caption (e.g., Abstract, Introduction, Experimental, Results, Discussion). All illustrations, photographs, tables, etc., should be on separate sheets.
4.1. Title and initial lay-out
All manuscripts should be headed by a concise but informative title, since titles are widely used in information retrieval systems. The title is followed by the names of the authors, and the address where the work was carried out. The author to whom correspondence should be addressed must be indicated. If the present address of an author is different from that mentioned, it should be given in a footnote. Acknowledgements of financial support should not be made in a footnote, but should be included in the Acknowledgements at the end of the paper.
4.2. Abstract
All papers must include an abstract (50-250 words) which should comprise a brief factual account of the contents of the paper, with emphasis on new information. Abbreviations, jargon and reference numbers must not be used. The abstract should be suitable for use by abstracting services without rewriting. To facilitate the insertion of the paper in information retrieval systems, a listing of subject keywords should be given below the abstract section.
4.3. Introduction
Every paper must have a concise introduction mentioning what has been done before on the topic described, and stating clearly what is new in the paper now submitted.
4.4. Experimental
The experimental methods and the materials used should be described after the introductory paragraphs. Detailed technical descriptions should be restricted to one section of the paper, and not scattered throughout the text. Sufficient information should be given to allow any reasonably experienced worker to carry out the procedure. Detailed descriptions of well-known techniques and equipment are unnecessary, as are simple preparations of reagents or solutions, and lists of common chemicals. In writing, complete sentences should be used.
4.5. Results and discussion
Preferably these should be treated together to avoid unnecessary repetition. Unsupported elaboration of hypotheses, and verbose exposition of ideas should be avoided. Chemical formulae should not be used in the text unless confusion is likely to arise from the use of names. Formulae may, however, be used for brevity in tables and figures.
4.6. Conclusions
The significance of the results should be presented here.
4.7. Acknowledgements
Acknowledgements should be kept as short as possible, and placed at the conclusion of the text.
4.8. References
The references should be collected at the end of the paper, numbered in order of their appearance in the text, and typed on a separate sheet. References given in tables should be numbered according to the position of the table in the text. Every reference listed must be cited in the text. Reference numbers in the text are set in square brackets on the line.
In the list of references, periodicals [1], books [2], and proceedings [3] should be cited in accordance with the following examples:
[1] V. Kvasnicka and J. Phospíchal, J. Math. Chem., 9 (1992) 181 196.
[2] E.D. Sontag, in R.P. Lippmann, J.E. Moody and D.S. Touretzky (Eds.), Advances in Neural Information Processing Systems, Vol. III, Morgan Kaufmann, San Mateo, CA, 1991, p. 153.
[3] P.J. Lewi, J. van Hoof and K. Andries, in E.J. Karjalainen (Ed.), Scientific Computing and Automation (Europe) 1990. Proceedings of the Conference, 12 15 June 1990, Maastricht, The Netherlands, Elsevier, Amsterdam, 1990, pp. 97 103.
Articles not yet published should be given as 'in press' only if accepted for publication, otherwise unpublished articles should be referred to as 'submitted for publication', 'in preparation' or 'personal communication+year', as appropriate.
4.9. Tables
The tables should be typed (in double spacing) on separate pages, and numbered in Arabic numerals according to their sequence in the text. A brief descriptive heading should be given above each table. Below the table the experimental conditions should be described. The lay-out of the tables should be given serious thought, so that the reader can grasp quickly the significance of the results.
4.10. Illustrations
The figures should be submitted in a form suitable for reproduction. One original (or sharp glossy print) and two photocopies are required. Attention should be given to line thickness, lettering (which should be kept to a minimum) and spacing on axes of graphs, in order to ensure that numbers, etc., remain legible after reduction of the printing. Axes of a graph should be clearly labelled, along the axes, and outside the graph itself. Standard symbols should be used in line drawings.
Simple straight-line graphs are not acceptable, because they can be readily described in the text, by means of an equation or a sentence. Explanatory information should not be placed in the figure, but in the legend.
Photographs should have good contrast and intensity. Sharp, glossy photographs are required to obtain good halftones. Illustrations in colour will be accepted where the use of colours is essential for the presentation. The decision on this rests with the Editor. The Publisher and the author will each bear part of the extra costs involved. These arise from the need to prepare colour-separated printing films by means of scanning the original colour figures, and the need to print four colours. The charge to the author will be Dfl. 1000 for the first page containing colour and Dfl. 250 for each additional page with colour, independent of the number of colour figures on each page. Value Added Tax (VAT) should be added, if applicable. Colour illustrations should be submitted as original colour photographs, transparencies, or 35 mm slides. Polaroid colour prints are not suitable. Please submit colour photographs and transparencies close to the size expected in publication. If structures are given in the text, the original drawings should be provided. Computer outputs for reproduction as figures must be of good quality on blank paper, and should preferably be submitted as glossy prints.
References to the illustrations should be included in appropriate places in the text using Arabic numerals. Each illustration should have a descriptive legend, all the legends being typed (with double spacing) together on a separate sheet.
The written permission of the author and publisher must be obtained for the use of any figure already published. Its source must be indicated in the legend.
4.11. Software and data
Technical details of software should preferably be given in table format. Statements on the availability of the software to interested readers and on its price and storage medium should be given. In some cases the author may want to make the data or software discussed in a paper available on diskette. If so, the author should inform the Editor. The symbol for a diskette will then be printed with the article, so that the reader can contact the author directly. An example of the output may be given provided it is not too large. In some cases, the Editors may, however, accept publication of a program or, preferably, of its key subroutines.
4.12. Nomenclature, symbols and abbreviations
In general, the recommendations of the International Union of Pure and Applied Chemistry (IUPAC) should be followed, and attention should be given to the recommendations of the Analytical Chemistry Division in the journal Pure and Applied Chemistry. Contributions which report mass spectrometric results should follow the "Recommendations for Symbolism and Nomenclature for Mass Spectrometry", Pure and Applied Chemistry, 50 (1978) 65 73.
Symbols, formulae and equations should be written with great care, capitals and lower case letters being distinguished where necessary. Particular care should be taken in typing mathematical expressions containing superscripts, and in proof-reading such equations. Unusual symbols employed for the first time should be defined by name in the left-hand margin.
Abbreviations require definition when first used. Abbreviations for long chemical names (e.g., EDTA, HEDTA, TBAH, Tris) are useful, especially in equations, tables or figures.
5. Proofs
One set of proofs will be sent to the author to be carefully checked for printer's errors. Corrections must be restricted to instances in which the proof is at variance with the manuscript. We shall be obliged to make a charge for all 'extra corrections' at a rate in accordance with their cost to us.
6. Reprints
Twenty-five reprints of tutorials, reviews, original papers and short communications will be supplied free of charge. Additional reprints may be ordered by the authors. The order form containing price quotations will be sent to the author together with the proof of his/her article.
Editorial Board
Editor-in-Chief:
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D.L. Massart, Vrije Universiteit Brussel, Farmaceutisch Instituut, Laarbeeklaan 103, B-1090 Brussels, Belgium.
Fax: (+32) 2477 4735
Email:massart@vub.vub.ac.be
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Editor:
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P. Minkkinen, Lappeenranta University of Technology, Department of Chemical Technology, P.O. Box 20, FIN-53851 Lappeenranta, Finland
Email:Pentti.Minkkinen@lut.fi
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P.D. Wentzell, Trace Analysis Research Center, Department of Chemistry, Dalhousie University, Halifax, NS, Canada B3H 4J3
Email:Wentzell@chem1.chem.dal.ca
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Editor for Statistics:
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C.H. Spiegelman, College Station, TX, USA.
Fax: (+1) 409 845 3144
Email:cliff@stat.tamu.edu
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Associate Editors:
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P.K. Hopke, Potsdam, NY, USA
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D.B. Hibbert, Sydney, NSW, Australia
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Editorial Advisory Board:
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C.A. Andersson, Copenhagen, Denmark
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D. Bertrand, Nantes, France
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K.S. Booksh, Arizona State University, Tempe, AZ, USA
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P.J. Brown, Canterbury, UK
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D. Burns, Quebec, Canada
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L.M.C. Buydens, Nijmegen, The Netherlands
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W.J. Dunn, Chicago, IL, USA
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A.M. El-Shaa-rawi, Burlington, ON, Canada
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M.H. Feinberg, Paris, France
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J. Ferr? Tarragona, Spain
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M. Forina, Genoa, Italy
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D.M. Haaland, Albuquerque, NM
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T.M. Hancewicz, Edgewater, USA
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P. de B. Harrington, Athens, OH, USA
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K.H. Jarman, Richland, VA
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O.M. Kvalheim, Allegt.41, N-5007 Bergen, Norway
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P.J. Lewi, Beerse, Belgium
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Y. Liang, Changsha, P.R. China
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R. Manne, Bergen
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E.B. Martin, Newcastle upon Tyne, UK
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L. Norgaard, Frederiksberg, Denmark
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S.D. Oman, Jerusalem, Israel
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M. Otto, Freiberg, Germany
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P. Paatero, Helsinki
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R.J. Pell, Midland, MI, USA
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E. Pretsch, Zürich, Switzerland
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K.D. Rappaport, Wood-Ridge, NJ, USA
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S.C. Rutan, Richmond, VA, USA
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D.G. Simpson, Champaign, IL, USA
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R. Sundberg, Stockholm, Sweden
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R. Todeschini, Milan, Italy
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P. Van Espen, Wilrijk, Belgium
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B.G.M. Vandeginste, Vlaardingen, The Netherlands
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M. Vannucci, College Station, TX
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B. Walczak, Katowice, Poland
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G. Weiss, Bethesda, MD, USA
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P. Wiegand, South Charleston, WV
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W. Windig, Rochester, NY, USA
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B.M. Wise, Manson, WA, USA
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S. Wold, Ume? Sweden
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J. Zupan, Ljubljana, Slovenia
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S. de Jong, Vlaardingen, The Netherlands
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A. de Juan, Barcelona, Spain
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