MOLGEN-CID: a canonizer for molecules and graphs accessible through the internet.

Research output: Journal contributionsJournal articlesResearchpeer-review

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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, Vol. 44, No. 2, 01.09.2004, p. 542-548.

Research output: Journal contributionsJournal articlesResearchpeer-review

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Vancouver

Braun J, Gugisch R, Kerber A, Laue R, Meringer M, Rücker C. MOLGEN-CID: a canonizer for molecules and graphs accessible through the internet. Journal of Chemical Information and Computer Science. 2004 Sept 1;44(2):542-548. doi: 10.1021/ci030404l

Bibtex

@article{cad69cc09256458da28f8c09c95f3c2c,
title = "MOLGEN-CID: a canonizer for molecules and graphs accessible through the internet.",
abstract = "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.",
keywords = "Chemistry",
author = "Joachim Braun and Ralf Gugisch and Adalbert Kerber and Reinhard Laue and Markus Meringer and Christoph R{\"u}cker",
year = "2004",
month = sep,
day = "1",
doi = "10.1021/ci030404l",
language = "English",
volume = "44",
pages = "542--548",
journal = "Journal of Chemical Information and Computer Science",
issn = "0095-2338",
publisher = "American Chemical Society",
number = "2",

}

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 Science

JF - Journal of Chemical Information and Computer Science

SN - 0095-2338

IS - 2

ER -

DOI