The Chemical Thesaurus
Reaction Chemistry Database
Chemical Thesaurus reaction chemistry database was originally developed
to store data about Lewis acids, Lewis bases and Lewis acid/base complexes,
but it has now grown into something far, far larger.
A thesaurus from
the Greek is a storehouse, and the Chemical Thesaurus is a storehouse
of information about chemical species and chemical interactions and reactions.
The software behaves rather like the thesaurus built into your word processor
which allows you to jump from word to word to word by meaning:
happy delighted wild savage
crude raw uncooked...
Likewise, the chemical thesaurus
allows you to move from chemical species to chemical species (via their
natural gas methane hydrogen
adiponitrile 1,6-diaminohexane nylon-6,6
The software uses a relational
database to store information about any chemical reaction process,
Resonance structure interconversion
Single electron transfer
Simple (non-feedback controlled) biosynthetic pathways
etc., etc., etc.
The application software is
extensively hyper-linked. Just click around, explore, discover... Learn
how the application works.
It is not possible to add all
chemistry to any one database. The decision has therefore been made to
fill The Chemical Thesaurus with as much fundamental chemistry
as possible. It is hoped that the database contains all of the reaction
chemistry knowledge that a chemistry major would be expected to be familiar,
specialist modules excepted.
The present version has good
Isotopes and major
The periodic table
Main group chemistry
Organic chemistry expressed in terms of generic functional group reactions
There are 100 hydrogen
reactions and more than 500 for water
No other chemistry
database provides access to this type of chemical information.
Although the database does
have references to the primary and secondary literature, the data is mainly
at textbook level. However, this should be seen as a strength,
not a weakness because The Chemical Thesaurus attempts to model reaction
chemistry space from the ground up.
K.R. Cousins reviewed version
2.0 of the software for the Journal of the American Chemistry Society:
JACS 123, 35, pp 8645-6 (2001). Her review starts:
Thesaurus is a reaction chemistry information system that extends traditional
references by providing hyperlinks between related information. This
program goes a long way toward meeting its ambitious goal of creating
a non-linear reference for reaction information. With its built-in connections,
organizing themes, and multiple ways to sort and view data, The Chemical
Thesaurus is much greater than the sum of the data in its database.
The program does an excellent job of removing the artificial barriers
between different subdisciplinary areas of chemistry by presenting a
unified vision of inorganic and organic reaction chemistry."
The Chemical Thesaurus cannot
compete with the major on-line reaction chemistry databases such as Beilstein,
Gmelin and CAS in terms of numbers
of data items, and it does not attempt to.
to The Chemical Thesaurus
© Mark R. Leach 1999-
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