Substructure searches in chemistry
and related tasks
Chemical structures in Molfile/SDF-format are processed for *
* substructure searches
(binary substructure descriptors),
* duplicate search,
* symmetry recognition (automorphism),
* maximum common substructures.
SubMat is a stand alone program (exe-file).
* remote (for instance by call from R, etc.).
Input of chemical structure data: SDF-file.
Output of results: text file.
Authors: H. Scsibrany and K. Varmuza
Programmer: H. Scsibrany
Heinz Scsibrany (1965-2010) passed away due to a sudden and severe disease. Owing to unfortunate circumstances the program sources and most of the documentation were lost.
SubMat can be used only "as is". Several successful applications proofed the reliability of SubMat.
The software and a short documentation can be provided for collaborations in common scientific projects.
c/o Vienna University of Technology