Efficient enumeration of monocyclic chemical graphs with given path frequencies

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Enumeration method for tree-like chemical compounds with benzene rings and naphthalene rings by breadth-first search order.Ring system-based chemical graph generation for de novo molecular design.

P2860

Q35942299-782CF834-5182-4340-B84C-8DC3367276E5 Q50627884-F319DB82-97C9-4DBE-B3AC-76BE6BF62E40

P2860

Efficient enumeration of monocyclic chemical graphs with given path frequencies

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2014 nî lūn-bûn

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Efficient enumeration of monocyclic chemical graphs with given path frequencies

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Item

label

Efficient enumeration of monocyclic chemical graphs with given path frequencies

@en

prefLabel

Efficient enumeration of monocyclic chemical graphs with given path frequencies

@en

P1476

Efficient enumeration of monocyclic chemical graphs with given path frequencies

@en

P2093

Hiroshi Nagamochi

http://www.w3.org/2001/XMLSchema#string

Masaki Suzuki

http://www.w3.org/2001/XMLSchema#string

P2860

KEGG for representation and analysis of molecular networks involving diseases and drugs

A constructive approach for discovering new drug leads: Using a kernel methodology for the inverse-QSAR problem

Virtual exploration of the chemical universe up to 11 atoms of C, N, O, F: assembly of 26.4 million structures (110.9 million stereoisomers) and analysis for new ring systems, stereochemistry, physicochemical properties, compound classes, and drug d

Kombinatorische Anzahlbestimmungen für Gruppen, Graphen und chemische Verbindungen

Comparison of support vector machine and artificial neural network systems for drug/nondrug classification.

Enumerating tree-like chemical graphs with given upper and lower bounds on path frequencies.

Improved algorithms for enumerating tree-like chemical graphs with given path frequency.

Graph kernels for molecular structure-activity relationship analysis with support vector machines.

Exhaustive Structure Generation for Inverse-QSPR/QSAR.

Enumerating treelike chemical graphs with given path frequency.

P2888

1758-2946-6-31

P304

http://www.w3.org/2001/XMLSchema#string

P31

scholarly article

P356

10.1186/1758-2946-6-31

http://www.w3.org/2001/XMLSchema#string

P478

http://www.w3.org/2001/XMLSchema#string

P50

Tatsuya Akutsu

P577

2014-05-30T00:00:00Z

http://www.w3.org/2001/XMLSchema#dateTime

P5875

263356618

http://www.w3.org/2001/XMLSchema#string

P6179

1047500046

http://www.w3.org/2001/XMLSchema#string

P698

24955135

http://www.w3.org/2001/XMLSchema#string

P932

4049473

http://www.w3.org/2001/XMLSchema#string

Efficient enumeration of monocyclic chemical graphs with given path frequencies

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P2860

P2860

Efficient enumeration of monocyclic chemical graphs with given path frequencies

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P2888

P304

P31

P356

P478

P50

P577

P5875

P6179

P698

P932

P356

P1433

P1476

P2093

P2860

P2888

P304

P31

P356

P478

P50

P577

P5875

P6179

P698

P932