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Whole-Molecule Calculation of Log P Based on Molar Volume, Hydrogen Bonds, and Simulated13C NMR Spectra
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/1521-3838(200205)21:1<23::aid-qsar23>3.0.co;2-eopenalex-snapshot
Fragmental Methods in the Design of New Compounds. Applications of The Advanced Algorithm Builder
inferredcites →https://doi.org/10.1002/jps.20168openalex-snapshot
Analyses of the partition coefficient, log P, using ab initio MO parameter and accessible surface area of solute molecules
inferredcites →https://doi.org/10.1002/jps.2600690938openalex-snapshot
Substituent Constants for Correlation Analysis in Chemistry and Biology.
inferredcites →https://doi.org/10.1002/jps.2600840120openalex-snapshot
Atom/Fragment Contribution Method for Estimating Octanol–Water Partition Coefficients
inferredcites →https://doi.org/10.1002/qsar.19880070105openalex-snapshot
Crossvalidation, Bootstrapping, and Partial Least Squares Compared with Multiple Regression in Conventional QSAR Studies
inferredcites →https://doi.org/10.1002/qsar.200390036openalex-snapshot
Substructure versus Whole‐molecule Approaches for Calculating Log P
inferredcites →https://doi.org/10.1016/0076-6879(91)02028-8openalex-snapshot
[26] Enzymatic catalysis in organic synthesis
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Chapter 6 Solvent effects and nuclear magnetic resonance
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Hose — a novel substructure code
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Quantifying molecular partition into model systems of biomembranes: an emphasis on optical spectroscopic methods
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Theory and calculation of nuclear shielding constants
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Investigation of Structure, Dynamics, and Solvation in 1-Octanol and Its Water-Saturated Solution: Molecular Dynamics and Free-Energy Perturbation Studies
inferredcites →https://doi.org/10.1021/jp9632899openalex-snapshot
Density and Temperature Effects on the Hydrogen Bond Structure of Liquid Methanol
inferredcites →https://doi.org/10.1023/a:1008715521862openalex-snapshot
Estimating log P with atom/fragments and water solubility with log P
inferredcites →https://doi.org/10.1023/a:1011959120313openalex-snapshot
Developing 13C NMR quantitative spectrometric data-activity relationship (QSDAR) models of steroid binding to the corticosteroid binding globulin
inferredcites →https://doi.org/10.1038/194178b0openalex-snapshot
Correlation of Biological Activity of Phenoxyacetic Acids with Hammett Substituent Constants and Partition Coefficients
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Mucosal Injury: The Combined Effects of Lysophosphatidylcholine and Sodium Taurodeoxycholate on the Rat Stomach
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Hydrophobicity Parameters Determined by Reversed-Phase Liquid Chromatography. XVI: A New Hydrogen-Accepting Parameter for Monosubstituted Thiophenes and Furans for Correlating Retention Factors and Octanol-Water Partition Coefficients1)
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/chin.200522225openalex-snapshot
Whole‐Molecule Calculation of Log P Based on Molar Volume, Hydrogen Bonds, and Simulated 13C NMR Spectra.
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Synthesis and theoretical QSAR study of a naphthalene–androsterone derivative
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Permeability of the Blood-Brain Barrier for Dilept and Its Active Metabolite
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SVM approach for predicting LogP
inferred← citeshttps://doi.org/10.1016/j.bbapap.2007.03.002openalex-snapshot
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inferred← citeshttps://doi.org/10.12921/cmst.2012.18.02.81-88openalex-snapshot
The log P Parameter as a Molecular Descriptor in the Computer-aided Drug Design – an Overview
inferred← citeshttps://doi.org/10.1515/pac-2014-0908openalex-snapshot
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inferred← citeshttps://doi.org/10.3923/jai.2011.257.268openalex-snapshot
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Novel QSAR and QSPR descriptors?
inferred← citeshttps://doi.org/10.59350/tsanv-nyz36openalex-snapshot
Novel QSAR and QSPR descriptors?
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