maximum common substructures Latest Research Papers

Disconnected Maximum Common Substructures under Constraints

Journal of Chemical Information and Modeling ◽

10.1021/acs.jcim.0c00741 ◽

2020 ◽

Author(s):

Robert Schmidt ◽

Florian Krull ◽

Anna Lina Heinzke ◽

Matthias Rarey

Keyword(s):

Maximum Common Substructures

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Analysis of drug–endogenous human metabolite similarities in terms of their maximum common substructures

Journal of Cheminformatics ◽

10.1186/s13321-017-0198-y ◽

2017 ◽

Vol 9 (1) ◽

Cited By ~ 18

Author(s):

Steve O’Hagan ◽

Douglas B. Kell

Keyword(s):

Human Metabolite ◽

Maximum Common Substructures

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Erratum to: Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructures

Journal of Computer-Aided Molecular Design ◽

10.1007/s10822-015-9879-7 ◽

2015 ◽

Vol 29 (11) ◽

pp. 1071-1072

Author(s):

Bijun Zhang ◽

Martin Vogt ◽

Gerald M. Maggiora ◽

Jürgen Bajorath

Keyword(s):

Chemical Space ◽

Tanimoto Similarity ◽

Space Networks ◽

Chemical Space Networks ◽

Maximum Common Substructures

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Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructures

Journal of Computer-Aided Molecular Design ◽

10.1007/s10822-015-9872-1 ◽

2015 ◽

Vol 29 (10) ◽

pp. 937-950 ◽

Cited By ~ 24

Author(s):

Bijun Zhang ◽

Martin Vogt ◽

Gerald M. Maggiora ◽

Jürgen Bajorath

Keyword(s):

Chemical Space ◽

Tanimoto Similarity ◽

Space Networks ◽

Chemical Space Networks ◽

Maximum Common Substructures

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Introducing fuzziness into maximum common substructures for meaningful cluster characterisation

Journal of Cheminformatics ◽

10.1186/1758-2946-6-s1-p17 ◽

2014 ◽

Vol 6 (S1) ◽

Cited By ~ 1

Author(s):

Christian Herhaus

Keyword(s):

Maximum Common Substructures

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ChemInform Abstract: Maximum Common Substructures of Organic Compounds Exhibiting Similar Infrared Spectra.

ChemInform ◽

10.1002/chin.199834289 ◽

2010 ◽

Vol 29 (34) ◽

pp. no-no

Author(s):

K. VARMUZA ◽

P. N. PENCHEV ◽

H. SCSIBRANY

Keyword(s):

Organic Compounds ◽

Infrared Spectra ◽

Maximum Common Substructures

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ChemInform Abstract: Toward an Improved Clustering of Large Data Sets Using Maximum Common Substructures and Tolological Fingerprints.

ChemInform ◽

10.1002/chin.200915211 ◽

2009 ◽

Vol 40 (15) ◽

Author(s):

Alexander Boecker

Keyword(s):

Large Data ◽

Large Data Sets ◽

Data Sets ◽

Maximum Common Substructures

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Toward an Improved Clustering of Large Data Sets Using Maximum Common Substructures and Topological Fingerprints

Journal of Chemical Information and Modeling ◽

10.1021/ci8000887 ◽

2008 ◽

Vol 48 (11) ◽

pp. 2097-2107 ◽

Cited By ~ 22

Author(s):

Alexander Böcker

Keyword(s):

Large Data ◽

Large Data Sets ◽

Data Sets ◽

Maximum Common Substructures

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Step-by-Step Calculation of All Maximum Common Substructures Through a Constraint Satisfaction Based Algorithm.

ChemInform ◽

10.1002/chin.200416201 ◽

2004 ◽

Vol 35 (16) ◽

Author(s):

Gonzalo Cerruela Garcia ◽

Irene Luque Ruiz ◽

Miguel Angel Gomez-Nieto

Keyword(s):

Constraint Satisfaction ◽

Maximum Common Substructures

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Step-by-Step Calculation of All Maximum Common Substructures through a Constraint Satisfaction Based Algorithm

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci034167y ◽

2004 ◽

Vol 44 (1) ◽

pp. 30-41 ◽

Cited By ~ 21

Author(s):

Gonzalo Cerruela García ◽

Irene Luque Ruiz ◽

Miguel Ángel Gómez-Nieto

Keyword(s):

Constraint Satisfaction ◽

Maximum Common Substructures

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maximum common substructures
Recently Published Documents

TOTAL DOCUMENTS

H-INDEX

Disconnected Maximum Common Substructures under Constraints

Analysis of drug–endogenous human metabolite similarities in terms of their maximum common substructures

Erratum to: Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructures

Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructures

Introducing fuzziness into maximum common substructures for meaningful cluster characterisation

ChemInform Abstract: Maximum Common Substructures of Organic Compounds Exhibiting Similar Infrared Spectra.

ChemInform Abstract: Toward an Improved Clustering of Large Data Sets Using Maximum Common Substructures and Tolological Fingerprints.

Toward an Improved Clustering of Large Data Sets Using Maximum Common Substructures and Topological Fingerprints

Step-by-Step Calculation of All Maximum Common Substructures Through a Constraint Satisfaction Based Algorithm.

Step-by-Step Calculation of All Maximum Common Substructures through a Constraint Satisfaction Based Algorithm

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maximum common substructuresRecently Published Documents

TOTAL DOCUMENTS

H-INDEX

Disconnected Maximum Common Substructures under Constraints

Analysis of drug–endogenous human metabolite similarities in terms of their maximum common substructures

Erratum to: Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructures

Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructures

Introducing fuzziness into maximum common substructures for meaningful cluster characterisation

ChemInform Abstract: Maximum Common Substructures of Organic Compounds Exhibiting Similar Infrared Spectra.

ChemInform Abstract: Toward an Improved Clustering of Large Data Sets Using Maximum Common Substructures and Tolological Fingerprints.

Toward an Improved Clustering of Large Data Sets Using Maximum Common Substructures and Topological Fingerprints

Step-by-Step Calculation of All Maximum Common Substructures Through a Constraint Satisfaction Based Algorithm.

Step-by-Step Calculation of All Maximum Common Substructures through a Constraint Satisfaction Based Algorithm

maximum common substructures
Recently Published Documents