MOLGEN-CID: a canonizer for molecules and graphs accessible through the internet.
Publikation: Beiträge in Zeitschriften › Zeitschriftenaufsätze › Forschung › begutachtet
Standard
MOLGEN-CID : a canonizer for molecules and graphs accessible through the internet. / Braun, Joachim; Gugisch, Ralf ; Kerber, Adalbert et al.
in: Journal of Chemical Information and Computer Science, Jahrgang 44, Nr. 2, 01.09.2004, S. 542-548.Publikation: Beiträge in Zeitschriften › Zeitschriftenaufsätze › Forschung › begutachtet
Harvard
APA
Vancouver
Bibtex
}
RIS
TY - JOUR
T1 - MOLGEN-CID
T2 - a canonizer for molecules and graphs accessible through the internet.
AU - Braun, Joachim
AU - Gugisch, Ralf
AU - Kerber, Adalbert
AU - Laue, Reinhard
AU - Meringer, Markus
AU - Rücker, Christoph
PY - 2004/9/1
Y1 - 2004/9/1
N2 - 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.
AB - 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.
KW - Chemistry
U2 - 10.1021/ci030404l
DO - 10.1021/ci030404l
M3 - Journal articles
C2 - 15032534
VL - 44
SP - 542
EP - 548
JO - Journal of Chemical Information and Computer Sciences
JF - Journal of Chemical Information and Computer Sciences
SN - 0095-2338
IS - 2
ER -