The Chemical Thesaurus 4.0 reaction chemistry database
Note that the versions for download on this page are out of date with respect to The Chemical Thesaurus on the web.
The stand-alone versions will be useful for people who do not have a permanent Internet connection: Feel free to copy downloaded software to CD-R and distribute.
The stand-alone versions contain functionality and software gadgets that have not yet been ported to the web.
Screen-shot preview of The Chemical Thesaurus 4
Click
to download. Licensed for personal use. No registration required
The Chemical Thesaurus
4.0.1 for Win ME, NT4, 2000 & XP (16 MB)
The Chemical Thesaurus 4.0.1 for
Mac OS X (16 MB)
The Chemical Thesaurus 4.0.1
for Mac OS 8.6 - 9.2.2 (16 MB)
• Click one of the
above links to download a compressed archive. Upon double-clicking, the download
will expand into a folder containing 150MB of files. The first file, ChemThes4.exe
[listed alphabetically] is the application program.
• If you have a download problem, try 'right clicking on the link, then
select 'Save Target As'. Mac users 'Ctrl + click'.
• System requirements: 800 x 600 monitor and 150MB hard drive space.
• Windows users: the file is a self-extracting .exe file and you may
be warned that your are downloading opening a potentially dangerous file.
• Mac users require a copy of Stuffit Expander. This is probably installed
as a utility on your hard drive. If not, it is available FREE from Aladdin
Systems or Stuffit.com. If, on attempting
to unpack the .sit file a -39 ERROR appears, either open Stuffit first and
unstuff 'within' Stuffit Expander or download the latest version of Stuffit.
If you have any problems please contact support
at meta-synthesis.
• Just drag the ChemThes folder to the recycle bin to remove everything.
• These files are quite large for download using a dial-up modem. Expect
the download to take two hours for the v4 software and an hour for v2.6. The
software MUST download as a single file.
• If you have an older computer, please download the 2.6 versions of
the software, but these versions are now very, very old. Sometimes
there are problems when v.4 is run on Win ME.
The Chemical Thesaurus 2.6 for Win 95, 98, ME (10 MB)
The Chemical Thesaurus 2.6 for Mac OS 7.6 - 9.2 (10 MB)
happy -> delighted -> wild -> savage -> crude -> raw -> uncooked...
Likewise, the chemical thesaurus allows you to move from chemical species to chemical species (via their chemical reactions):
natural gas -> methane -> hydrogen cyanide -> adiponitrile -> 1,6-diaminohexane -> nylon-6,6
The software uses a relational database to store information about any chemical reaction process, including: radiochemistry, phase change, resonance structure interconversion, interchanging conformation, single electron transfer, complexation, substitution-displacement-transfer (which are mechanistically equivalent), redox reactions, photochemistry, rearrangements, multi-step mechanisms, synthetic pathways, 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 free version is close to comprehensive with respect to: isotopes and major decay pathways, the periodic table, atomic ions, main group chemistry, organic chemistry expressed in terms of generic functional group reactions and industrial chemistry. There are 100 hydrogen reactions and over 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. Therefore it deals with the simple and well known material first.
The application software is extensively hyper-linked so that it acts as a point-and-click chemical thesaurus. Just click and go.
Please tell us if you like the software. What sort of additions you would like to see in future versions? Would you like to collaborate on the project in some way?
Go to the Chemogenesis web book index page, here.
© Mark.R.Leach 1999-2005
Our subdomains include meta-synthesis, metasynthesis and chemogenesis:
"The Chemical Thesaurus goes a long way toward meeting its ambitious goal of creating a non-linear reference for reaction information... [It] does an excellent job of removing the artificial barriers between... inorganic and organic reaction chemistry", K.R. Cousins, J.Am.Chem.Soc., 123, 35, pp 8645-6 (2001)
A-Level Chemistry: version 4 of The Chemical Thesaurus has a subset of the reaction chemistry database designed to support students and teachers of the British GCE AS/A2 Chemistry exam system, a university entrance qualification used in many countries.
In
The Database:
•
atoms, isotopes & ions
• simple molecules & molecular ions
• main group chemistry
• industrial chemistry
• organic functional group chemistry
• reaction mechanisms
• Lewis acids & Lewis bases
• redox agents
• radicals & diradicals
• pericyclic processes
• VSEPR geometries
• Brønsted acids + conjugate bases
• material types
• minerals
• radioactive decay series
• flame chemistry
• quarks, leptons, fermions & bosons
• common natural products
• pharmaceutical agents
Software
Gadgets:
•
mol.wt. calculator
• redox chemistry
• Gibbs free energy
• aromatic substitution
• clickable periodic table
Software
Drills:
•
test your knowledge