variety of mechanisms include, but are not limited to, aggregation, redox activity, fluorescence,
protein reactivity, singlet-oxygen quenching, the presence of impurities, membrane disruption,
and their decomposition in assay buffer to form reactive compounds. Many of these compounds
have been classified as Pan Assay Interference Compounds (PAINS; see Baell & Holloway, J.
Med. Chem. 2010, 53, 2719-2740 and webinar at bit.ly/jmcPAINS). Provide firm experimental
evidence in at least two different assays that reported compounds with potential PAINS liability
are specifically active and their apparent activity is not an artifact.
2.2 Manuscript Organization
2.2.1 Title Page. Title: The title of the manuscript should reflect the purposes and findings of the
work in order to provide maximum information in a computerized title search. Minimal use of
nonfunctional words is encouraged. Only commonly employed abbreviations (e.g., DNA, RNA,
ATP) are acceptable. Code numbers for compounds may be used in a manuscript title when
placed in parentheses AFTER the chemical or descriptive name.
Authors' Names and Affiliations: The authors' full first names, middle initials, last names, and
affiliations with addresses at time of work completion should be listed below the title. The name
of the corresponding author should be marked with an asterisk (*).
2.2.2 Abstract. Articles, Brief Articles, Perspectives, and Viewpoints must have an abstract
following the title page. Brief Articles have a strict 75 word limit; for Articles and Perspectives,
150 words are usually adequate; for Viewpoints, 1
3 sentences are adequate. Abstracts should be
presented in a findings-oriented format in which the most important results and conclusions are
summarized. Code numbers may be used once in the abstract.
2.2.3 Introduction. The rationale and objectives of the research should be discussed in this
section. The background material should be brief and relevant to the research described.
2.2.4 Results. This section could include synthetic schemes and tables of biological data. The
discussion of the chemistry and biology should be descriptive.
2.2.5 Discussion and Conclusions. Authors should discuss the analysis of the data together with
the significance of results and conclusions, if an optional conclusions section is not employed.
2.2.6 Experimental Section. Authors should be as concise as possible in experimental
descriptions. General reaction conditions should be given only once. The title of an experiment
should include the chemical name and a bold Arabic identifier number; subsequently, only the
bold Arabic number should be used. Experiments should be listed in numerical order. Molar
equivalents of all reactants and percentage yields of products should be included.
A general introductory section should include general procedures, standard techniques, and
instruments employed (e.g., determination of purity, chromatography, NMR spectra, mass
spectra, names of equipment) in the synthesis and characterization of compounds described
subsequently in this section. Special attention should be called to hazardous reactions or toxic
compounds. Provide analysis for known classes of assay interference compounds.
Abbreviations. Standard abbreviations should be used throughout the experimental section (see
5. Standard Abbreviations and Acronyms). Please note that these are used in ACS Journals
without periods. The preferred forms for some of the more commonly used abbrevations are mp,
bp, ºC, K, min, h, mL,
L, g, mg,
g, cm, mm, nm, mol, mmol,
mol, ppm, TLC, GC, NMR,
UV, and IR. Units are abbreviated in table column heads and when used with numbers, not
otherwise. For further information, refer to The ACS Style Guide (see 2.1 General
2.2.7 Ancillary Information. Include pertinent information in the order listed immediately
before the references.
Supporting Information Availability. If supporting information has been submitted, include a
statement of the availability using the following format:
Supporting Information. Brief statement in nonsentence format listing the contents of
the material supplied as Supporting Information.
PDB ID Codes: Include the PDB ID codes with assigned compound Arabic number. Include the
Authors will release the atomic coordinates and experimental data upon article
Homology Models: Include the PDB ID codes with assigned compound Arabic number. Include
the statement “Authors will release the atomic coor
ates upon article publication.”
Corresponding Author Information: Provide telephone numbers and email addresses for each of
the designated corresponding authors.
Present/Current Author Addresses: Provide information for authors whose affiliations or
addresses have changed.
Author Contributions: Include statement such as "These authors contributed equally."
Acknowledgment: Authors may acknowledge people, organizations, and financial supporters in
Abbreviations Used: Provide a list of nonstandard abbreviations and acronyms used in the paper,
e.g., YFP, yellow fluorescent protein. Do not include compound code numbers in this list. It is
not necessary to include abbreviations and acronyms from the Standard Abbreviations and
Acronyms list (http://pubs.acs.org/page/jmcmar/submission/authors.html).
2.2.8 References and Notes. Number literature references and notes in one consecutive series by
order of mention in the text. Numbers in the text are non-parenthesized superscripts. The
accuracy of the references is the responsibility of the author. List all authors; do not use et al.
Provide inclusive page numbers. Titles may have capitalization of first word only (excluding, for
example, acronyms and trade names) or standard capitalization as shown below. The chosen
style should be used consistently throughout the references. Double-space the references using
the following format.
For journals: Rich, D. H.; Green, J.; Toth, M. V.; Marshall, G. R.; Kent, S. B. H.
Hydroxyethylamine Analogues of the p17/p24 Substrate Cleavage Site Are Tight-
Binding Inhibitors of HIV Protease. J. Med. Chem. 1990, 33, 1285-1288.
For online early access: Rubner, G.; Bensdorf, K.; Wellner, A.; Kircher, B.; Bergemann,
S.; Ott, I.; Gust, R. Synthesis and Biological Activities of Transition Metal Complexes
Based on Acetylsalicylic Acid as Neo-Anticancer Agents. J. Med. Chem. [Online early
access]. DOI: 10.1021/jm101019j. Published Online: September 21, 2010.
For periodicals published in electronic format only: Author 1; Author 2; Author 3; etc.
Title of Article. Journal Abbreviation [Online] Year, Volume, Article Number or other
For monographs: Casy, A. F.; Parfitt, R. T. Opioid Analgesics; Plenum: New York, 1986.
For edited books: Rall, T. W.; Schleifer, L. S. Drugs Effective in the Therapy of the
Epilepsies. In The Pharmacological Basis of Therapeutics, 7th ed.; Gilman, A. G.,
Goodman, L. S., Rall, T. W., Murad, F., Eds.; Macmillan: New York, 1985; pp 446-472.
List submitted manuscripts as “in press” only if formally accepted for publication
available on the Web with a DOI number are considered published. For manuscripts not
use “unpublished results” after the names of authors.
Incorporate notes in the correct
numerical sequence with the references. Footnotes are not used.
2.2.9 Tables. Tabulation of experimental results is encouraged when this leads to more effective
presentation or to more economical use of space. Tables should be numbered consecutively in
order of citation in the text with Arabic numerals. Footnotes in tables should be given italic
lowercase letter designations and cited in the tables as superscripts. The sequence of letters
should proceed by row rather than by column. If a reference is cited in both table and text, insert
a lettered footnote in the table to refer to the numbered reference in the text. Each table must be
provided with a descriptive title that, together with column headings, should make the table self-
Titles and footnotes should be on the same page as the table. Tables may be created using a word
mode or table format feature. The table format feature is preferred. Ensure each
data entry is in its own table cell. If the text mode is used, separate columns with a single tab and
use a return at the end of each row. Tables may be inserted in the text where first mentioned or
may be grouped after the references.
2.2.10 Figures, Schemes/Structures, and Charts. The use of illustrations to convey or clarify
information is encouraged. Structures should be produced with the use of a drawing program
such as ChemDraw. Authors using other drawing packages should, in as far as possible, modify
their program’s parameters so that they conform to ChemDraw preferences. Remove all color
from illustrations, except for those you would like published in color. Illustrations may be
inserted into the text where mentioned or may be consolidated at the end of the manuscript. If
consolidated, legends should be grouped on a separate page(s). Include as part of the manuscript
To facilitate the publication process, please submit manuscript graphics using the following
1. The preferred submission procedure is to embed graphic files in a Word document. It
may help to print the manuscript on a laser printer to ensure all artwork is clear and
2. Additional acceptable file formats are: TIFF, PDF, EPS (vector artwork) or CDX
(ChemDraw file). If submitting individual graphic files in addition to them being
embedded in a Word document, ensure the files are named based on graphic function (i.e.
Scheme 1, Figure 2, Chart 3), not the scientific name. Labeling of all figure parts should
be present and the parts should be assembled into a single graphic.
EPS files: Ensure that all fonts are converted to outlines or embedded in the graphic file.
The document settings should be in RGB mode. NOTE: While EPS files are accepted,
the vector-based graphics will be rasterized for production. Please see below for TIFF
file production resolutions.
3. TIFF files (either embedded in a Word doc or submitted as individual files) should have
the following resolution requirements:
Black & White line art: 1200 dpi
Grayscale art (a monochromatic image containing shades of gray): 600 dpi
Color art (RGB color mode): 300 dpi
The RGB and resolution requirements are essential for producing high-quality
graphics within the published manuscript. Graphics submitted in CMYK or at
lower resolutions may be used; however, the colors may not be consistent and
graphics of poor quality may not be able to be improved.
Most graphic programs provide an option for changing the resolution when
you are saving the image. Best practice is to save the graphic file at the final
resolution and size using the program used to create the graphic.
4. Graphics should be sized at the final production size when possible. Single column
graphics are preferred and can be sized up to 240 points wide (3.33 in.). Double column
graphics must be sized between 300 and 504 points (4.167 in. and 7 in.). All graphics
have a maximum depth of 660 points (9.167 in.) including the caption (please allow 12
points for each line of caption text).
Consistently sizing letters and labels in graphics throughout your manuscript will help
ensure consistent graphic presentation for publication.
For more information, please visit http://pubs.acs.org/page/jmcmar/submission/authors.html and
2.2.11 Image Manipulation. According to ACS Ethical Guidelines, images should be free from
misleading manipulation. Images included in an account of research performed or in the data
collection as part of the research require an accurate description of how the images were
generated and produced. Apply digital processing uniformly to images, with both samples and
controls. Cropping must be reported in the figure legend. For gels and blots, use of positive and
negative controls is highly recommended. Avoid high contrast settings to avoid overexposure of
gels and blots. For microscopy, apply color adjustment to entire image and note in the legend.
When necessary, authors should include a section on equipment and settings in supporting
information to describe all image acquisition tools, techniques and settings, and software used.
All final images must have resolutions of 300 dpi or higher. Authors should retain unprocessed
data in the event that the Editors request them. Unprocessed data can also be part of the
2.2.12 Table of Contents Graphic. A graphic entry for the table of contents (TOC) must be
supplied as the last page of the manuscript and labeled “Table of Contents graphic.” This
graphic should capture the reader's attention and, in conjunction with the manuscript title, should
give the reader an idea of the key target compounds or series discussed in the paper. The TOC
graphic will also appear in the abstract of the published PDF file.
A chemical structure should be clearly depicted.
The TOC graphic should be entirely original work created by one of the coauthors and should
not be a duplicate of a graphic appearing elsewhere in the manuscript.
The TOC graphic should be no wider than 21 cm and no taller than 5.5 cm.
Code numbers should not be used in the TOC graphic.
For additional information see the ACS Publications Guidelines for Table of Contents/Abstract
Graphics. For resolution/quality requirements see Figures, Schemes/Structures, and Charts.
2.2.13 Supporting Information. Authors are encouraged to make use of this resource when
manuscripts contain extensive tabulations of data that are of interest only to those readers who
may need more complete data.
The first page of the supporting information file should contain the title of the manuscript, the
names of all authors, and a table of contents; label th
is page “Supporting Information”
pages must be consecutively numbered S1 (the title page), S2, etc. Figure captions, titles to
tables, and other identifying captions should appear on the same page as the figures or tables.
Supporting information may be single-spaced. Generally, if one has difficulty reading the
material as submitted, it is unacceptable. Refer to The ACS Style Guide (see 2.1 General
Considerations) for more specific information.
Supporting information must be submitted at the same time as the manuscript and uploaded
separately to the ACS Paragon Plus Environment. A list of acceptable file types is available on
the Web. All supporting information files of the same type should be prepared as a single file
(rather than submitting a series of files containing individual images or structures). For example,
all supporting information available as PDF files should be contained in one PDF file. Author-
created file names will be automatically replaced with standardized file names generated at the
time of publication.
DO NOT UPLOAD FIGURES AND TABLES THAT ARE TO BE PUBLISHED IN THE
MANUSCRIPT INTO THE SUPPORTING INFORMATION FILE.
2.2.14 Molecular Formula Strings. Authors are encouraged to submit SMILES string
computer-readable identifiers of molecules discussed in the manuscript along with the associated
biochemical and biological data. Submission of molecular formula strings and associated data
enables enhanced quality control at review and can increase an article's discoverability and
citability. Complete submission instructions are available at
2.3 Specialized Data
2.3.1 Biological Data. Quantitative biological data are required for all tested compounds.
Biological test methods must be referenced or described in sufficient detail to permit the
experiments to be repeated by others. Detailed descriptions of biological methods should be
placed in the experimental section. Standard compounds or established drugs should be tested in
the same system for comparison. Data may be presented as numerical expressions or in graphical
form; biological data for extensive series of compounds should be presented in tabular form.
Tables consisting primarily of negative data will not usually be accepted; however, for purposes
of documentation they may be submitted as supporting information.
Active compounds obtained from combinatorial syntheses should be resynthesized and retested
to verify that the biology conforms to the initial observation.
Statistical limits (statistical significance) for the biological data are usually required. If statistical
limits cannot be provided, the number of determinations and some indication of the variability
and reliability of the results should be given. References to statistical methods of calculation
should be included. Doses and concentrations should be expressed as molar quantities (e.g.,
mol/kg, M, mM). The routes of administration of test compounds and vehicles used
should be indicated, and any salt forms used (hydrochlorides, sulfates, etc.) should be noted. The
physical state of the compound dosed (crystalline, amorphous; solution, suspension) and the
formulation for dosing (micronized, jet-milled, nanoparticles) should be indicated. For those
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