Editorial policies

  CBI Molecular Structure Report (CBI MSR) is an international journal published by the Chem-Bio Informatics Society (CBI), which appears on the J-Stage website. Crystal structures of organic molecules are very important basic data for molecular design. Many useful structures, however, are unfortunately buried in academia and industries. The biggest barriers that prevent the publications of these structures are the complicated procedures accompanying the manuscript submission and unnecessarily high standard of precision. It is usual that not a few organic molecules are very difficult to crystallize, and accordingly R factors are high or some atoms are disordered. The papers on these problematic structures are usually not accepted by journals specialized in crystallography, even though the structures are the best structures available at the time and they are extremely useful for molecular designers. The CBI MSR encourages the submission of such structures and will constructively judge their scientific values. All organic molecules from various categories that are of interest from the points of industrial applications and molecular design are acceptable. Only the structures obtained by single crystal X-ray diffraction are acceptable for the time being.
   It is understood that contributions which are submitted to CBI MSR have not, nor will be simultaneously submitted or published elsewhere. With the acceptance of the paper for publication, the CBI society acquires full and exclusive copyright for the content in all languages and for all countries.

Submission of manuscripts and paper charge

  Each publication should contain information about one structure only. The corresponding author is asked to pay 5,000 JPY (ca 50 USD) for each published structure. The files prepared by use of the template file will be acceptable. Only papers prepared in accordance with the following instructions are accepted. The files should be sent via ONLINE SUBMISSION. A cover letter must accompany every manuscript, containing a brief paragraph pointing out the significance of the reported work. To ensure efficient and error-free processing, an Article Submission Form must be submitted at the time of article submission. The review process will not proceed until an Article Submission Form is completed.

• *After receiving an e-mail of decision(acceptance), please arrange your payment as it is stated in the mail.
• *Payment should be made in Japanese Yen.
• *Any handling charge must be settled by the author.

(1) Structure of manuscripts
  Manuscripts should be made by use of the template(Microsoft Word 2003 for Windows). Please find the sample file as a reference. Manuscripts should consist of Abstract, Introduction, Experimental Methods, Results, and Discussion. Only two figures including the chemical diagram (Fig.1) and an ORTEP drawing (Fig.2) should be included. Three tables of experimental details, atomic parameters (thermal parameters should be in an equivalent formula), and selected geometrical parameters should be included. The manuscript with figures and tables must fit on two pages.

(2) Data evaluation and deposition
  Data evaluation before submission is required. In the cover letter, the authors should explain possible reasons especially for major alerts. Prior to the submission, authors are requested to submit the CIF file to the CCDC and acquire a CCDC deposition number that should be indicated in the Abstract. The authors are strongly advised to consult the Cambridge Structural Database before submission and describe the retrieval results briefly in the cover letter.The CIF file and the output of CIF-check in PDF must be attached to the manuscript.

(3) International System of Units/IUPAC
  The International System of Units is to be used wherever possible ; however, unit cell parameters and distances should be given in Å. The nomenclature of compounds should follow the IUPAC rules.

(4) Abstract
  The abstract should include the chemical formula, crystal system, space group, cell parameters, cell volume, Z, temperature, and R_gt(F) and wR_ref(F²) factors. A brief description of the chemical category, such as drug, drug metabolite, natural product, and so on, should be included at the end.

(5) Figures
  The original drawing of Fig.2 should be made at a resolution of 300dpi. The chemical structure should be drawn by the use of ChemDraw or ChemSketch.

(6) Tables
   The following data must be included in Table 1.

• crystal size, shape, and color
• radiation and its wavelength
• µ(cm^-1) diffractometer
• 2θmax
• number of reflections measured, number of unique reflections
• number of reflections used in structure refinement and its criterion
• number of parameters
• final electron residues
• goodness-of-fit
• programs used in structure solution and refinement

  Atomic parameters of non-hydrogen atoms should be given in Table 2. Thermal parameters must be expressed by equivalent isotropic ones. Selected geometrical parameters should be given in Table 3. Trivial parameters such as those in the phenyl rings should not be included. The geometrical parameters of hydrogen bonds should be described in the text and not in the table.

(7) References
  References in the text should be written as Arabic numbers in square brackets, such as [4]. References must be placed in order as they are mentioned in the text. The number of references should be less than or equal to five. Software used should also be referenced. For the abbreviations of the journal titles, refer to the ‘Chemical Abstract’. A few examples are shown below. The abbreviation of et al. should be used if the number of authors exceeds six.

---ACS style---
<Journal article>
Author 1; Author 2; Author 3; etc. Title of Article. Journal Abbreviation Year, Volume, Inclusive Pagination.
e.g.
	[1]	Goto, J.; Kataoka, R.; Muta, H.; Hirayama, N. J.Chem.Inf.Model.2008, 48, 583-590.
	[2]	Klingler, J. Influence of Pretreatment on Sodium Powder. Chem. Mater. 2005, 17, 2755–2768.
	[3]	Mullin, R. Chem. Eng. News 2005, 83 (42), 7.
<Books>
Author 1; Author 2; Author 3; etc. Chapter Title. In Book Title, Edition Number; Editor 1, Editor 2, etc., Eds.; Series Information (if any); Publisher: Place of Publication, Year; Volume Number, Pagination.
	e.g.
	[4]	Lide, D.R. Ed. CRC Handbook of Chemistry and Physics, 74th ed.; CRC Press: New York, 1994.
	[5]	Almlof, J.; Gropen, O. Relativistic Effects in Chemistry. In Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH: New York, 1996; Vol. 8, pp 206–210.
<Meeting or conference>
	e.g.
	[6]	Garrone, E.; Ugliengo, P. In Structure and Reactivity of Surfaces, Proceedings of the European Conference, Trieste, Italy, Sept 13–20, 1988; Zecchina, A., Cost, G., Morterra, C., Eds.; Elsevier: Amsterdam, 1988.
<Software>
	e.g.
	[7]	MOE (Molecular Operating Environment), 2007.09; Chemical Computing Group, Inc.: Montreal, Quebec, Canada, 2007.
<General Web sites>
	e.g.
	[8]	Chemical Information List Server, CHMINF-L@iubvm.ucs. indiana.edu (accessed Oct 13, 2004).

(8) Peer Review Process
  If the article is considered for review, it will be sent to at least two peer reviewers that may include editors of the Journal and anonymous peer reviewers. The editorial board will inform the authors the decision(accept/reject) within two months at the latest. In case of conditional acceptance, the author should submit the revised paper within one month.

(9) Proofs
  Proofs will be sent only once to the author explicitly marked as the correspondence author. Corrections are to be restricted to typographical errors.

(10) The address of the Editorial Office for CBI MSR
  Chem-Bio Informatics Society (CBI)
    Office: Iida Bldg., Room 301,
     4-3-16, Yoga, Setagaya-ku
     Tokyo, 158-0097, JAPAN

  Manuscripts should be made by use of the template.

Download the template file (Microsoft Word 2003 for Windows)
   »»  MSR_template.doc
   »»  MSR_sample.pdf

Submit your Manuscripts
   »» ONLINE SUBMISSION