I590 REQUIREMENTS and GRADE SCALE
Updated: 1 January 2006
There are no written examinations in I590. Student grades will be based
on class participation (30 percent), a final paper or project (40 percent),
and assigned exercises, which account for the remaining 30 percent.
1/19 Exercise 1
2/2 Exercise 2
2/21 Exercise 3
3/2 Exercise 4
4/20 Exercise 5
4/27 Exercise 6
5/4, 2:45 PM Project (in lieu of final exam)
5/4, 2:45 PM Paper (Choice of topics; in lieu of final exam)
Your paper should be no less than ten pages long (double-spaced, type-written),
exclusive of the bibliography and title page.
References must conform to the second edition of
The ACS Style Guide (QD8.5.A25 1997 Chemistry Library Reserves).
Your final authority for journal abbreviations is CASSI (available via any
Web OPAC in any library on the IUB campus or
in print form at the IUPUI University Library).
- Creation of a Web page for Beilstein
The Beilstein system is based on the constitutional formula of the compound as
the only classifying feature. It takes into account only the structural
properties (the morphology) of the compound. Thus, the Beilstein system
represents a one-dimensional, natural, hierarchical classification.
The principal criteria for classifying compounds in the system are:
- main division, i.e., acyclic, iso-(carbo-)cyclic, and heterocyclic
(further subdivided according to the type and number of ring heteroatoms)
- Acyclic Compounds, Volumes 1-4; System Numbers 1-449
- Isocyclic Compounds, Volumes 5-16; System Numbers 450-2358
- Heterocyclic Compounds, Volumes 17-27; System Numbers 2359-4720.
- functional groups, i.e., no functional group, OH, C=O, COOH, NH2, etc.
- degree of saturation (CnH2n-x)
- C number (total number of carbon atoms)
- skeletal structure (unbranched, branched, etc.; monocyclic, bicyclic, etc.)
Advantages of using the system to classify organic compounds are:
In the Beilstein database the LAWSON NUMBER is:
- Every compound (i.e., every structural formula) is assigned a unique place
in the Beilstein Handbook.
- Every compound can be retrieved from the Beilstein Handbook without use of
indexes or nomenclature.
- Chemically related compounds are brought into close proximity by the system,
thus enabling the Beilstein user to quicky find "chemical relatives"
(homologs, analogs) of every compound searched for, a kind of "similarity search".
Every substance in the Beilstein file has at least one Lawson number, but
searching by Lawson Numbers is NOT substructure or Markush searching. However,
the Lawson Number does represent certain structural fragments and can thus
be used for structural similarity searches. In general, the smaller the Lawson
Number, the more common the fragment. Dividing the Lawson Number by 8 puts you
roughly in the Beilstein system number for the printed Beilstein volume that
contains the compound.
Unfortunately, the Beilstein Institute never published the meanings of the
4,720 system numbers used to classify organic compounds. However, the Lawson
Number could serve as an effective index search key for the compounds if its
meaning were known. Searches that include the Lawson Number are effective
when used in combination with other search keys,
such as molecular formula, element ranges, etc. It is also useful when combined
with NOT in substructure searches.
This project will supplement a Web page that translates Lawson Numbers
created last year by SLIS student Allison Tipton. It links LNs to
their meanings and vice versa. It can be seen at:
- based on the Beilstein System
- used for similarity searches
- represents structure fragments.
I am not looking for an original contribution from you, but rather, a
review-type article that tells what's available in the various areas.
You should demonstrate to me that you have read about and investigated the
appropriate databases/software/publications/etc. and describe them in some
detail. Use double spacing; 12-point type is ok, but no larger. In general,
write an introductory paragraph or two to let me know what your topic is and
how you approached it, followed by your survey of the topic. This does not
have to be an original paper, but I would like to know what your own
impressions are for the tool(s) that you write about. Cover topics like the
intended audience, the time span covered, any special indexing techniques used,
or integration with other products (for example, easy export of data to Excel,
EndNote, etc.). Why is this product worth the cost (if there is a cost)?
Be sure to list in your bibliography all sources you consulted for the paper
even if you don't quote from them. The bibliography doesn't count on the
You could look for secondary information sources in the various reading lists
for the chemical informatics courses. See the Web pages at:
In the C571 list, you'll see a lot of references to the Encyclopedia of
Computational Chemistry. That's a very good source that is in the IUB
Chemistry Library Reference Area: QD39.3.E46 E53 1998. Its coverage is much
broader than the title implies.
Note that you are not limited to the topics suggested below.
However, topics that are not yet on this list must be approved in advance by
- Overview of databases and services from a vendor other than STN
- Front-end and Web Software for Searching Chemical Databases: A comparison
of SciFinder Scholar, STN Express and others
- Access Routes to the Chemical Abstracts database: What are they and
why should you use one over the other?
- Physical Property Databases and Publications
- Spectral Databases and Publications
- Crystallographic Databases and Publications
- Biosequence and Biostructure Databases and Publications
- Proteomics Databases and Publications
- Metaphorics cabinet
federation of high-performance scientific databases
If you choose to write on any of the database topics, a good source of
information is the STN Database Summary Sheets found at:
Use the Journal Citation Reports to identify the top three primary journals
in each of the database fields and write a brief paragraph about each journal.
Your grade in this class is based on the following:
||Value of Each
six exercises, etc.
- above 98: A+
- 95-98: A
- 90-95: A-
- 85-90: B+
- 80-85: B
- 75-80: B-
- 70-75: C+
- 65-70: C
- 60-65: C-
- 55-60: D+
- 50-55: D
- 45-50: D-
- 40-45: F+
- 35-40: F
- 30-35: F-
The final paper or project is due no later than Thursday, May 5, 2:45 p.m. The
exercises, etc. are due no later than
the beginning of the class period on the the day on
which they are listed in the class schedule.
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