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Prediction of Molecular Volume and Surface of Alkanes by Molecular Topology

https://doi.org/10.1021/ci034036x
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What this work says

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

inferredcites →https://doi.org/10.1002/jps.2600641214openalex-snapshot
Molecular Connectivity I: Relationship to Nonspecific Local Anesthesia
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Molecular Connectivity VII: Specific Treatment of Heteroatoms
inferredcites →https://doi.org/10.1002/jps.2600721016openalex-snapshot
General Definition of Valence Delta-Values for Molecular Connectivity
inferredcites →https://doi.org/10.1002/qsar.19960150304openalex-snapshot
New Analgesics Designed by Molecular Topology
inferredcites →https://doi.org/10.1016/0166-1280(95)90111-6openalex-snapshot
On a quantum chemical interpretation of molecular connectivity indices for conjugated hydrocarbons
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On a topological interpretation of electronic and vibrational molecular energies
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Pharmacological distribution diagrams: A tool for de novo drug design
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Graph Theoretical Invariant of Randic Revisited
inferredcites →https://doi.org/10.1021/ci960024iopenalex-snapshot
A Comparative Study of Topological and Geometrical Parameters in Estimating Normal Boiling Point and Octanol/Water Partition Coefficient
inferredcites →https://doi.org/10.1021/ci980039bopenalex-snapshot
The Vertex-Connectivity Index Revisited
inferredcites →https://doi.org/10.1021/ci990135sopenalex-snapshot
Intermolecular Accessibility: The Meaning of Molecular Connectivity
inferredcites →https://doi.org/10.1021/j100127a026openalex-snapshot
Molecular connectivity model for determination of physicochemical properties of .alpha.-amino acids
inferredcites →https://doi.org/10.1021/j100785a001openalex-snapshot
van der Waals Volumes and Radii
inferredcites →https://doi.org/10.1021/ja00856a001openalex-snapshot
Characterization of molecular branching
inferredcites →https://doi.org/10.1021/jp026238mopenalex-snapshot
Physicochemical Interpretation of Molecular Connectivity Indices
inferredcites →https://doi.org/10.2307/2369436openalex-snapshot
On an Application of the New Atomic Theory to the Graphical Representation of the Invariants and Covariants of Binary Quantics, with Three Appendices

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9783527628766.biblioopenalex-snapshot
Bibliography
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Hydrocarbon Uptake in the Alkylated Micropores of a Columnar Supramolecular Solid
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Hydrocarbon Uptake in the Alkylated Micropores of a Columnar Supramolecular Solid
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Prediction of Molecular Volume and Surface of Alkanes by Molecular Topology.
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Estimation of Stability Constants of Copper(II) Complexes with α‐Amino Acids Using Connectivity Index 3χv. Common Model for the Binary and Ternary Complexes
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Model of twelve properties of a set of organic solvents with graph‐theoretical and/or experimental parameters
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Bond‐extended stochastic and nonstochastic bilinear indices. I. QSPR/QSAR applications to the description of properties/activities of small‐medium size organic compounds
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Novel 2D TOMOCOMD-CARDD molecular descriptors: atom-based stochastic and non-stochastic bilinear indices and their QSPR applications
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Improving the local vertex invariants in alkane graphs through a standard molecular orbital approach
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.6b00027openalex-snapshot
Quantitative Assessment of the Impact of Fluorine Substitution on P-Glycoprotein (P-gp) Mediated Efflux, Permeability, Lipophilicity, and Metabolic Stability
inferred← citeshttps://doi.org/10.1021/ci2006092openalex-snapshot
Modeling Drug-Induced Anorexia by Molecular Topology
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Some New Trends in Chemical Graph Theory
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Influence of Chelate Ring Interactions on Copper(II) Chelate Stability Studied by Connectivity Index Functions
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Coupled-cluster, Möller Plesset (MP2), density fitted local MP2, and density functional theory examination of the energetic and structural features of hydrophobic solvation: Water and pentane
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Predicting Dyspnea Inducers by Molecular Topology
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Advances in the molecular modeling and quantitative structure–activity relationship-based design for antihistamines
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Chemical Structure Indices in In Silico Molecular Design
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Topological Index Nclass as a Factor Determining the Antibacterial Activity of Quinolones against Escherichia Coli
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