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Molecular graph

Known as: Kenogram, Hydrogen-depleted molecular graph, Mere kenogram 
In chemical graph theory and in mathematical chemistry, a molecular graph or chemical graph is a representation of the structural formula of a… 
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Related topics

Related topics

11 relations
Chemical graph theoryGraph (discrete mathematics)Graph isomorphismGraph isomorphism problem

Broader (2)

CheminformaticsMathematical chemistry

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2019
2019
Probabilistic Generative Deep Learning for Molecular Design
Probabilistic generative deep learning for molecular design involves the discovery and design of new molecules and analysis of… 
2016
2016
Irregularity of molecular graphs
A graph whose all vertices have equal degrees is said to be regular. If this is not the case, then the graph is irregular… 
2014
2014
The Second Minimum of the Irregularity of Graphs
2009
2009
Bounds on Randic indices
2007
2007
Advantages of the Approximate Similarity Approach in the QSAR Prediction of Ligand Activities for Alzheimer Disease Detection
The improvement on the QSAR prediction of the trans-stilbenes affinity for the β-amyloid peptide (employed for detecting the… 
2004
2004
Qspr Modeling of the Octanol/Water Partition Coefficient of Alcohols by Means of Optimization of Correlation Weights of Local Graph Invariants
A particular approach based on the concept of flexible topological descriptors,the so called “Optimization of Correlation Weights… 
Review
2004
Review
2004
Properties and Relationships of Conjugated Polyenes Having a Reciprocal Eigenvalue Spectrum – Dendralene and Radialene Hydrocarbons
While reviewing molecules corresponding to reciprocal graphs (graphs with all reciprocal eigenvalue pairs), new examples of… 
1999
1999
The neural network MolNet prediction of alkane enthalpies
1995
1995
Computer Storage and Retrieval of Generic Chemical Structures in Patents, 16. The Refined Search: An Algorithm for Matching Components of Generic Chemical Structures at the Atom-Bond Level
A description is given of an atom-level search strategy for matching components of generic chemical structures, called the… 
Highly Cited
1990
Highly Cited
1990
Development of 3-dimensional molecular descriptors
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