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Modeling the Octanol−Water Partition Coefficients by an Optimized Molecular Connectivity Index

https://doi.org/10.1021/ci050024v
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What this work says

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

inferredcites →https://doi.org/10.1002/1097-461x(2000)80:6<1199::aid-qua6>3.0.co;2-mopenalex-snapshot
On characterization of physical properties of amino acids
inferredcites →https://doi.org/10.1002/jps.2600641215openalex-snapshot
Molecular Connectivity II: Relationship to Water Solubility and Boiling Point
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Molecular Connectivity in Structure–activity Analysis
inferredcites →https://doi.org/10.1002/jps.2600840120openalex-snapshot
Atom/Fragment Contribution Method for Estimating Octanol–Water Partition Coefficients
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Plasma Concentrations and Pharmacokinetic Parameters of Nitrofenac Using a Simple and Sensitive HPLC Method
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QSAR study of 4‐hydroxypyridine derivatives as inhibitors of the HILL reaction
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Molecular Connectivity: Polarity Correction to Improve Correlation with Hydrophobicity
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Quantitative structure-activity relationships for N-(indol-3-ylacetyl)amino acids used as sources of auxin in plant tissue culture
inferredcites →https://doi.org/10.1016/0169-7439(91)80051-qopenalex-snapshot
Novel graph theoretical approach to heteroatoms in quantitative structure—activity relationships
inferredcites →https://doi.org/10.1016/b978-0-12-406560-4.x5001-6openalex-snapshot
Molecular Connectivity in Chemistry and Drug Research
inferredcites →https://doi.org/10.1016/j.bmc.2003.11.037openalex-snapshot
QSAR and ADME
inferredcites →https://doi.org/10.1016/s0009-2614(01)00127-0openalex-snapshot
Generalization of topological indices
inferredcites →https://doi.org/10.1021/ci000155qopenalex-snapshot
QSAR Study of 1,8-Naphthyridin-4-ones As Inhibitors of Photosystem II
inferredcites →https://doi.org/10.1021/ja00856a001openalex-snapshot
Characterization of molecular branching
inferredcites →https://doi.org/10.1021/ja00856a002openalex-snapshot
Importance of nonbonded attraction in the stereochemistry of the SN2' reaction
inferredcites →https://doi.org/10.1021/jp0346561openalex-snapshot
Generalized Graph Matrix, Graph Geometry, Quantum Chemistry, and Optimal Description of Physicochemical Properties
inferredcites →https://doi.org/10.1021/jp049139copenalex-snapshot
Three-Dimensional Generalized Graph Matrix, Harary Descriptors, and a Generalized Interatomic Lennard-Jones Potential
inferredcites →https://doi.org/10.1023/a:1011107422318openalex-snapshot
Substructure and whole molecule approaches for calculating log P
inferredcites →https://doi.org/10.1201/9781482296945openalex-snapshot
Topological Indices and Related Descriptors in QSAR and QSPR
inferredcites →https://doi.org/10.2174/0929867013371923openalex-snapshot
Recent Advances on the Role of Topological Indices in Drug Discovery Research

What points at this work

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Quantitative structure and retention relationships for gas chromatographic data: Application to alkyl pyridines on apolar and polar phases
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Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air
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