MOLGEN-CID--A canonizer for molecules and graphs accessible through the Internet.
The MOLGEN Chemical Identifier MOLGEN-CID is a software module freely accessible via the Internet. For a molecule or graph entered in molfile format (2D) it produces, by a canonical renumbering procedure, a canonical molfile and a unique character string that is easily compared by computer to a similar string. The mode of operation of MOLGEN-CID is detailed and visualized with examples.
Braun
Joachim
J
Department of Mathematics, Universität Bayreuth, D-95440 Bayreuth, Germany.
Gugisch
Ralf
R
Kerber
Adalbert
A
Laue
Reinhard
R
Meringer
Markus
M
Rücker
Christoph
C