C472 Exercise 5: Beilstein CrossFire Searches
DUE: 4/23/03
Updated: 4 March 2003

Go to this location and work through the examples assigned to you:

http://www.mimas.ac.uk/crossfire/docs/exercises_int2000.pdf

Answer the following questions:

TEXT (FACT) SEARCHES

Query 1. How many answers did you find? Were there melting point and/or boiling point values for the first compound in your answer set that were outside the ranges of values you searched? If so, how do you explain that?

Query 2. How many publications were potentially written by Karl Hassler? How many were written in 1994?

Query 3. Skip this one since IU does not subscribe to the version of Beilstein that includes abstracts.

Query 4. How many compounds did you find with this name. What differentiates them?

Query 5. How many substances did you find? For the second one in the answer set (Adenosine phosphate or 5'-Adenylic Acid), list two companies that from which you can buy the compound.

Query 6. How many sustances did you find? Why do you think that you need to search both "indole" and "indol" as well as indolyl?

Query 7. How many substances did you find? Sometimes the Pharm field has actual data or enhanced information. Locate a record that has such information, and copy it to your answer sheet.

Query 8. NB. Not all compounds have CAS Registry Numbers in the Beilstein database, and sometimes more than one Beilstein record exists with a given CAS RN. This is counter to what we learned about the CAS Registry File, where each unique chemical substance has one and only one RN, and there is only one substance depicted in the Registry File for a given RN.
How many substances are retrieved in this search?
What do the substances retrieved tell you about the way Beilstein treats tautomers as compared to the way Chemical Abstracts Service treats them?
How many reactions were found for each substance?

Pay close attention to the advice to click on View - Reaction View - All Reactions before you exit. Unless you do this, the next searches performed will be limited to the "Substance as Product view.

STRUCTURE SEARCHES

Query 9. How many compounds did you retrieve for the exact search? for the substructure search?

What is the default type of structure search in the STN Registry File? in the Beilstein database?

Note that it is possible to set a larger number of compounds to view at one time on the Short Display option. However, a larger number may not give sufficient resolution.

Query 10. How many substances did you find?
How many reactions for the first substance in which it is a product?

Query 11. For the compound(s) retrieved in each database, tell how many you retrieved with an Exact search (obtain a printout of your exact search in each case) and with a Substructure search with a) Implicit free sites b) Implicit ring closures off.

Compare the records for the compound retrieved in the exact search from both databases.

Query 12. Scroll down the Field Availability list and notice the large amount of information about this substance. Even for the solubility of benzocaine in ethanol (or ethanol with another solvent), there are a large number of entries. How many?

Query 13. How many compounds were found when combined with the muscle relaxation terms? How many when you did the NOT search?

Query 14. How many substances were retrieved that have optical properties? Be sure that you have selected View - Hit Only and print out the answer for the first substance in the Hit set.