Isentris 3.1 – front end to reaction
Imagine you sit in front of the computer and need to find the best reaction
conditions to reduce one ketone group to an alcohol in the presence of a
How do you search?
I could imagine most users are already here at a loss. Probably you try to
draw your desired structure and hope that you find something.
Where do you search?
- SciFinder, CrossFire Beilstein, ChemInform, combined reaction databases in
DiscoveryGate, Spresi, in-house reaction database? Probably many of you have
no access and/or have never heard of some these sources.
You find 10, 20, 100 reactions that might be suitable: But, for complete
information you have to read the article, and you would need to read 10, 20,
100 articles. Impossible, you take the first best, and hope for success in
you cluster your results by reaction types, yield, the most important
reaction conditions, and if starting materials are available. Even better, a
system displays this information without your intervention, and you select
not the first best, but the most appropriate hit.
The reaction planner in Isentris can do all this for you.
Symyx offers Isentris as read only version as additional user interface to
the reaction databases.
reaction databases include the Symyx databases, and CrossFire Beilstein and
Patent Chemistry Database (PCB) from Elsevier.
DiscoveryGate is the choice of
user interface if you have simple questions, like where can I find something
about a compound. DiscoveryGate displays a list of databases in which the
compound is found and with a little bit of knowledge about the content of
the databases, you will choose the right source.
(see picture to the right)
Isentris is the user interface of choice for the synthetic
chemists, who does more than look for the synthesis of a well known
There is a drawback using Isentris. Until we have
reengineered all databases to so called web services, you need to install
the databases in-house. For this you need an Oracle installation. Since the
installation of Isentris is not so simple we offer an installation package.
Have a look at
to see screenshots of the reaction planer.