Individual SEarch FOr Similar Structures

A program to find similar structures
by T. Kolber, and H. Lohninger

ISEFOSS is a Windows 95/Windows NT based program to search for similar structures in a chemical structure database. It is primarily designed for QSPR (quantitative structure property relationship) purposes. The similarity search is based on structural descriptors which are generated online during the search. The results of the similarity search can be controlled by selecting proper structural descriptors.

Features of ISEFOSS

  • Easy-to-handle user interface: at any time ISEFOSS indicates its status by means of a flow-diagram of the search process.
  • Fast retrieval times (approx. 30 seconds for 100.000 structures on a Pentium-100 PC)
  • Configurable search profiles
  • Support of MDL-MOL formats
  • Maintenance functions for structure database entries
  • Integrated structure editor for convenient search entry

User interface

If you want to have a quick look at the user interface you should click here (GIF file, 14 kBytes).

Hard- and software requirements

  • CPU: at least 486DX100
  • Windows 95, or Windows NT
  • 16/32 MB RAM (depends on operating system)
  • Required harddisk space: approx. 8MB per 10.000 structures


A demo version of ISEFOSS is available from this site. The demo copy is restricted to a database of 2000 entries. ISEFOSS comes together with a help file and a small set of predefined search profiles. In order to download the demo version, please click at the filename below:

ISEFOSSD.ZIP (290 kbytes)

In addition, you may also download a small structure database ready to use with ISEFOSS:

SMALLLIB.ZIP (280 kbytes)

The full version of ISEFOSS is available for Euro 59.00. See the ordering instructions for details.