Research graph
References from COMPARISON AND ENUMERATION OF CHEMICAL GRAPHS. Local targets link to admitted publications; unresolved targets remain external evidence.
On the analytic forms called trees with applications to the theory of chemical combinations
1875 · External reference
10.1201/9781420082999
10.1201/9781420082999 · 2010 · External reference
10.1023/a:1021271615909
10.1023/a:1021271615909 · External reference
Thirty years of graph matching in pattern recognition
10.1142/s0218001404003228 · 2004 · External reference
Unresolved reference
2003 · External reference
Machine learning methods for property prediction in chemoinformatics: quo vadis?
10.1021/ci200409x · 2012 · External reference
Enumerating molecules
10.1002/0471720895.ch3 · 2005 · External reference
Unresolved reference
1987 · External reference
Some classes of graphs with bounded treewidth
1988 · External reference
Finding the maximum common subgraph of a partial k-tree and a graph with a polynomially bounded number of spanning trees
10.1016/j.ipl.2004.06.019 · 2004 · External reference
Efficient frequent connected subgraph mining in graphs of bounded tree-width
10.1016/j.tcs.2010.03.030 · 2010 · External reference
Isomorphism of graphs of bounded valence can be tested in polynomial time
10.1016/0022-0000(82)90009-5 · 1982 · External reference
Normal forms for trivalent graphs and graphs of bounded valence
1983 · External reference
Automorphism partitioning, and canonical labeling can be solved in polynomial-time for molecular graphs
10.1021/ci9702914 · 1998 · External reference
On the complexity of finding iso- and other morphisms for partial k-trees
10.1016/0012-365x(92)90687-b · 1992 · External reference
Faster algorithms for subgraph isomorphism of k-connected partial k-trees
10.1007/s004530010023 · 2000 · External reference
Unresolved reference
External reference
SIMCOMP/SUBCOMP: chemical structure search servers for network analyses
10.1093/nar/gkq367 · 2010 · External reference
SING: subgraph search in non-homogeneous graphs
10.1186/1471-2105-11-96 · 2010 · External reference
A polynomial time algorithm for finding a largest common subgraph of almost trees of bounded degree
1993 · External reference
A polynomial-time algorithm for computing the maximum common subgraph of outerplanar graphs of bounded degree
10.1007/978-3-642-32589-2_10 · 2012 · External reference
On the complexity of the maximum common subgraph problem for partial k-trees of bounded degree
10.1007/978-3-642-35261-4_18 · 2012 · External reference
Maximum common subgraph: some upper bound and lower bound results
10.1186/1471-2105-7-s4-s6 · 2006 · External reference
The maximum common subgraph problem: faster solutions via vertex cover
10.1109/aiccsa.2007.370907 · 2007 · External reference
On a relation between graph edit distance and maximum common subgraph
10.1016/s0167-8655(97)00060-3 · 1997 · External reference
Approximate graph edit distance computation by means of bipartite graph matching
10.1016/j.imavis.2008.04.004 · 2010 · External reference
10.1101/gr.1212003
10.1101/gr.1212003 · External reference
10.1021/ja036030u
10.1021/ja036030u · External reference
10.1089/1066527041410337
10.1089/1066527041410337 · External reference
Automatic reaction mapping
2009 · External reference
10.1089/cmb.2009.0216
10.1089/cmb.2009.0216 · External reference
Quantifying and assessing the effect of chemical symmetry in metabolic pathways
10.1021/ci300259u · 2012 · External reference
A maximum common subgraph kernel method for predicting the chromosome aberration test
10.1021/ci900367j · 2010 · External reference
Kernel approach to molecular similarity based on iterative graph similarity
10.1021/ci700274r · 2007 · External reference
Molecule kernels: a descriptor- and alignment-free quantitative structure–activity relationship approach
10.1021/ci800144y · 2008 · External reference
Graph kernels for chemical informatics
10.1016/j.neunet.2005.07.009 · 2005 · External reference
Exhaustive QSPR studies of a large diverse set of ionic liquids: how accurately can we predict melting points?
10.1021/ci600493x · 2011 · External reference
Graph kernels based on tree patterns for molecules
10.1007/s10994-008-5086-2 · 2009 · External reference
Comparison of support vector machine and artificial neural network systems for drug/nondrug classification
10.1021/ci0341161 · 2003 · External reference
Frequent substructure-based approaches for classifying chemical compounds
10.1109/tkde.2005.127 · 2005 · External reference
Compound analysis via graph kernels incorporating chirality
10.1142/s0219720010005117 · 2010 · External reference
Marginalized kernels between labeled graphs
2003 · External reference
Graph kernels for molecular structure-activity relationship analysis with support vector machines
10.1021/ci050039t · 2005 · External reference
Design of molecules from quantitative structure-activity relationship models. 1. Information transfer between path and vertex degree counts
10.1021/ci00011a021 · 1993 · External reference
Inverse problem in QSAR/QSPR studies for the case of topological indices characterizing molecular shape (Kier indices)
10.1021/ci00014a017 · 1993 · External reference
The signature molecular descriptor. 2. Enumerating molecules from their extended valence sequences
10.1021/ci020346o · 2003 · External reference
Learning to find pre-images
2004 · External reference
Learning to find graph pre-images
10.1007/978-3-540-28649-3_31 · 2004 · External reference
Inferring a graph from path frequency
10.1016/j.dam.2012.02.002 · 2012 · External reference
10.1142/9781860947995_0019
10.1142/9781860947995_0019 · External reference
A detachment algorithm for inferring a graph from path frequency
10.1007/s00453-008-9184-0 · 2009 · External reference
Kernel methods for chemical compounds: From classification to design
10.1587/transinf.e94.d.1846 · 2011 · External reference
Comparison of descriptor spaces for chemical compound retrieval and classification
10.1007/s10115-007-0103-5 · 2008 · External reference
History and progress of the generation of structural formulae in chemistry and its applications
2007 · External reference
A survey of frequent subgraph mining algorithms
2012 · External reference
A comparative survey of algorithms for frequent subgraph discovery
2011 · External reference
Branch-and-bound algorithms for enumerating treelike chemical graphs with given path frequency using detachment-cut
10.1021/ci900447z · 2010 · External reference
Generating colored trees
10.1007/11604686_22 · 2005 · External reference
Enumerating tree-like chemical graphs with given upper and lower bounds on path frequencies
10.1186/1471-2105-12-s14-s3 · 2011 · External reference
Unresolved reference
2013 · External reference
Generating trees on multisets
10.1007/978-3-642-17517-6_18 · 2011 · External reference
Unresolved reference
2010 · External reference
Enumerating stereoisomers of tree structured molecules using dynamic programming
10.1007/s10910-010-9789-9 · 2010 · External reference
Efficient enumeration of stereoisomers of outerplanar chemical graphs using dynamic programming
10.1021/ci200084b · 2011 · External reference
Unresolved reference
2006 · External reference
