Beschreibung: Beschreibung: Beschreibung: Beschreibung: Beschreibung: LCM_T160

Laboratory for ChemoMetrics

Kurt Varmuza

c/o Vienna University of Technology (Austria)


Software SubMat

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).

Operating modes:

* interactive,

* 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.

Kurt Varmuza |

c/o Vienna University of Technology

*  [Papers}.  [Applications]


Thanks for your interest        2021-09-08