PRO: CODESSA (Comprehensive Descriptors for
Structural and Statistical Analysis) PRO is a
comprehensive program for developing
relationships (QSAR/QSPR) by integrating all
necessary mathematical and computational tools
by Alan R. Katritzky and Mati Karelson.
Codessa Pro manual is available:
Database System: We have developed our own
inventory system (Chemical Index, CINDEX) based
on MDL ISIS chemical information system. Because
of its scalability, reliability, and good
ability to integrate with other softwares in
comparison to other chemical database management
systems, we believe it should be of general
interest. Our inventory system, which is
available to noncommercial and
educational organizations, provides much of
functionality of recently available commercial universal systems (for example, SMART by MDL
which began to be distributed after finalizing
of our system).
Currently available compounds in Cindex CindexSDF2010.zip (SDF file format)
Currently available compounds in Cindex CindexISIS2010.zip (ISIS file format)
Benzotriazole Reaction Database:
The synthetically useful benzotriazole reactions
collected in our Bt database are presented in a
format compatible with reaction databases
commercially available from MDL such as CHC. We
make Bt database generally available to
chemists world-wide to provide specific
information on benzotriazole-assisted reactions.
collecting, classifying, and
retrieval of chemical information.
Instructions for reading .sdf files with
- Download the SDF file format.
- Open the CindexSDFxxxx.zip you will find either
CindexISISxxxx.db or CindeSDFxxxxx.sdf. Extract these files to your Computer.
- Open the ISIS/Base Program.
- Press File from the menu and select Open
Database, choose the file CindexISISxxxx.db and select the Update from the
- Press File from the menu and select Import
and then select SDFile, choose the file CindexSDFxxxx.sdf press open,
then it will show you the SDFile Options, select Add a new
record including structure and press ok.
Select Query from the form and press Search
from the menu and choose retrieve all.