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Branch-and-Bound Algorithms for Enumerating Treelike Chemical Graphs with Given Path Frequency Using Detachment-Cut

https://doi.org/10.1021/ci900447z
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1007/11496656_32openalex-snapshot
Inferring a Graph from Path Frequency
inferredcites →https://doi.org/10.1007/11604686_22openalex-snapshot
Generating Colored Trees
inferredcites →https://doi.org/10.1007/978-3-540-28649-3_31openalex-snapshot
Learning to Find Graph Pre-images
inferredcites →https://doi.org/10.1007/978-3-540-72504-6_52openalex-snapshot
An Efficient Algorithm for Generating Colored Outerplanar Graphs
inferredcites →https://doi.org/10.1007/bf01164196openalex-snapshot
Computer generation of acyclic graphs based on local vertex invariants and topological indices. Derived canonical labelling and coding of trees and alkanes
inferredcites →https://doi.org/10.1007/s00453-008-9184-0openalex-snapshot
A Detachment Algorithm for Inferring a Graph from Path Frequency
inferredcites →https://doi.org/10.1007/s10288-002-0008-9openalex-snapshot
Chemical trees enumeration algorithms
inferredcites →https://doi.org/10.1016/j.jmgm.2003.10.002openalex-snapshot
The signature molecular descriptor
inferredcites →https://doi.org/10.1021/ci00011a021openalex-snapshot
Design of molecules from quantitative structure-activity relationship models. 1. Information transfer between path and vertex degree counts
inferredcites →https://doi.org/10.1021/ci00014a012openalex-snapshot
Design of molecules from quantitative structure-activity relationship models. 3. Role of higher order path counts: Path 3
inferredcites →https://doi.org/10.1021/ci00014a017openalex-snapshot
Inverse problem in QSAR/QSPR studies for the case of topological indexes characterizing molecular shape (Kier indices)
inferredcites →https://doi.org/10.1021/ci00015a007openalex-snapshot
Applications of degree distribution. 2. Construction and enumeration of isomers in the alkane series
inferredcites →https://doi.org/10.1021/ci00030a009openalex-snapshot
Computer enumeration and generation of trees and rooted trees
inferredcites →https://doi.org/10.1021/ci020346oopenalex-snapshot
The Signature Molecular Descriptor. 2. Enumerating Molecules from Their Extended Valence Sequences
inferredcites →https://doi.org/10.1021/ci050039topenalex-snapshot
Graph Kernels for Molecular Structure−Activity Relationship Analysis with Support Vector Machines
inferredcites →https://doi.org/10.1021/ci0504521openalex-snapshot
Designing Novel Polymers with Targeted Properties Using the Signature Molecular Descriptor
inferredcites →https://doi.org/10.1021/ci600238jopenalex-snapshot
Algorithm for Advanced Canonical Coding of Planar Chemical Structures That Considers Stereochemical and Symmetric Information
inferredcites →https://doi.org/10.1021/ci6003652openalex-snapshot
Chemical Fragment Spaces for de novo Design
inferredcites →https://doi.org/10.1021/ci600423uopenalex-snapshot
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 Discovery
inferredcites →https://doi.org/10.1021/ci700385aopenalex-snapshot
Enumerating Treelike Chemical Graphs with Given Path Frequency
inferredcites →https://doi.org/10.1021/ja00832a017openalex-snapshot
Applications of artificial intelligence for chemical inference. XII. Exhaustive generation of cyclic and acyclic isomers
inferredcites →https://doi.org/10.1109/tkde.2005.127openalex-snapshot
Frequent substructure-based approaches for classifying chemical compounds
inferredcites →https://doi.org/10.1145/1273496openalex-snapshot
Proceedings of the 24th international conference on Machine learning

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1002/minf.201400072openalex-snapshot
Ring‐System‐Based Exhaustive Structure Generation for Inverse‐QSPR/QSAR
inferred← citeshttps://doi.org/10.1002/minf.201400128openalex-snapshot
A Branch‐and‐Bound Approach for Tautomer Enumeration
inferred← citeshttps://doi.org/10.1007/s10910-014-0338-9openalex-snapshot
Enumerating stereo-isomers of tree-like polyinositols
inferred← citeshttps://doi.org/10.1016/j.bmc.2012.03.030openalex-snapshot
Chemoinformatics: A view of the field and current trends in method development
inferred← citeshttps://doi.org/10.1016/j.dam.2012.02.002openalex-snapshot
Inferring a graph from path frequency
inferred← citeshttps://doi.org/10.1080/00207160.2013.805753openalex-snapshot
Generating fixed density bracelets of arbitrary base
inferred← citeshttps://doi.org/10.1088/1742-5468/2012/12/p12018openalex-snapshot
Enumerating tree-like polyphenyl isomers
inferred← citeshttps://doi.org/10.1089/cmb.2016.0056openalex-snapshot
Enumeration Method for Structural Isomers Containing User-Defined Structures Based on Breadth-First Search Approach
inferred← citeshttps://doi.org/10.1109/tcbb.2016.2628888openalex-snapshot
Enumerating Substituted Benzene Isomers of Tree-Like Chemical Graphs
inferred← citeshttps://doi.org/10.1142/s0219720013430075openalex-snapshot
BREADTH-FIRST SEARCH APPROACH TO ENUMERATION OF TREE-LIKE CHEMICAL COMPOUNDS
inferred← citeshttps://doi.org/10.1186/1755-8794-8-s2-s15openalex-snapshot
Parallelization of enumerating tree-like chemical compounds by breadth-first search order
inferred← citeshttps://doi.org/10.15200/winn.144348.80403openalex-snapshot
On the Number of Phthalates
inferred← citeshttps://doi.org/10.1587/transinf.e94.d.1846openalex-snapshot
Kernel Methods for Chemical Compounds: From Classification to Design
inferred← citeshttps://doi.org/10.1587/transinf.e95.d.712openalex-snapshot
Indexing All Rooted Subgraphs of a Rooted Graph
inferred← citeshttps://doi.org/10.5936/csbj.201302004openalex-snapshot
COMPARISON AND ENUMERATION OF CHEMICAL GRAPHS
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