On the public citation graph

Theoretical Scales of Hydrogen Bond Acidity and Basicity for Application in QSAR/QSPR Studies and Drug Design. Partitioning of Aliphatic Compounds

0 signed · 106 inferred · view as graph

Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.

Is this your work? Sign in with ORCID and put your name on the claims that are yours.
Claim with ORCID
Reference health. See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.
See reference health

What this work says

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

inferredcites →https://doi.org/10.1002/(sici)1099-1395(199705)10:5<405::aid-poc922>3.0.co;2-aopenalex-snapshot
QUANTIFICATION OF NON-COVALENT INTERACTIONS ON THE BASIS OF THE THERMODYNAMIC HYDROGEN BOND PARAMETERS
inferredcites →https://doi.org/10.1002/1521-3765(20020118)8:2<457::aid-chem457>3.0.co;2-5openalex-snapshot
Theoretical Prediction of the Hydrogen-Bond Basicity pKHB
inferredcites →https://doi.org/10.1002/3527601791openalex-snapshot
Solvents and Solvent Effects in Organic Chemistry
inferredcites →https://doi.org/10.1002/anie.199601501openalex-snapshot
Electronegativity and Molecular Properties
inferredcites →https://doi.org/10.1002/jps.2600830806openalex-snapshot
Hydrogen Bonding. 32. An Analysis of Water-Octanol and Water-Alkane Partitioning and the Δlog P Parameter of Seiler
inferredcites →https://doi.org/10.1002/poc.378openalex-snapshot
Novel point charge models: reliable instruments formolecular electrostatic
inferredcites →https://doi.org/10.1002/poc.472openalex-snapshot
Hydrogen‐bond basicity of solutes in hydroxylic solvents from octanol–water partition coefficients
inferredcites →https://doi.org/10.1002/qua.1706openalex-snapshot
Molecular surface electrostatic potentials in relation to noncovalent interactions in biological systems
inferredcites →https://doi.org/10.1007/0-387-21632-4openalex-snapshot
Handbook of Physics
inferredcites →https://doi.org/10.1007/978-1-4684-1770-8openalex-snapshot
Dipole Moments in Organic Chemistry
inferredcites →https://doi.org/10.1007/978-3-642-85135-3openalex-snapshot
Hydrogen Bonding in Biological Structures
inferredcites →https://doi.org/10.1007/bf02311772openalex-snapshot
The use of characteristic volumes to measure cavity terms in reversed phase liquid chromatography
inferredcites →https://doi.org/10.1007/bf02311773openalex-snapshot
A reversed-phase liquid chromatographic columns for the analysis of single-stranded oligo-DNAs
inferredcites →https://doi.org/10.1016/0020-711x(92)90347-4openalex-snapshot
Hydrogen bonding in biological structures
inferredcites →https://doi.org/10.1016/0022-2860(73)80079-1openalex-snapshot
Dipole moments in organic chemistry
inferredcites →https://doi.org/10.1016/b978-0-08-009654-4.50122-9openalex-snapshot
STERIC EFFECTS IN ORGANIC CHEMISTRY
inferredcites →https://doi.org/10.1016/s0045-6535(00)00288-5openalex-snapshot
The solubility of gases and vapours in dry octan-1-ol at 298 K
inferredcites →https://doi.org/10.1016/s0378-3812(01)00428-9openalex-snapshot
The development and determination of chemically distinct solute parameters for use in linear solvation energy relationships
inferredcites →https://doi.org/10.1021/ci025530oopenalex-snapshot
A Comparison between the Two General Sets of Linear Free Energy Descriptors of Abraham and Klamt
inferredcites →https://doi.org/10.1021/ci980065+openalex-snapshot
Hydrogen Bonding Parameters for QSAR: Comparison of Indicator Variables, Hydrogen Bond Counts, Molecular Orbital and Other Parameters
inferredcites →https://doi.org/10.1021/ci980339topenalex-snapshot
Estimation of Molecular Linear Free Energy Relation Descriptors Using a Group Contribution Approach
inferredcites →https://doi.org/10.1021/ci9903206openalex-snapshot
Structurally Diverse Quantitative Structure−Property Relationship Correlations of Technologically Relevant Physical Properties
inferredcites →https://doi.org/10.1021/ci990427topenalex-snapshot
Estimation of Molecular Linear Free Energy Relationship Descriptors by a Group Contribution Approach. 2. Prediction of Partition Coefficients
inferredcites →https://doi.org/10.1021/cr60274a001openalex-snapshot
Partition coefficients and their uses
inferredcites →https://doi.org/10.1021/es00022a012openalex-snapshot
Linear solvation energy relationships: "rule of thumb" for estimation of variable values
inferredcites →https://doi.org/10.1021/es00022a013openalex-snapshot
Determining the fates of contaminanted wastes dumped in the New York Bight apex by use of metal enrichment factors
inferredcites →https://doi.org/10.1021/j100007a062openalex-snapshot
Conductor-like Screening Model for Real Solvents: A New Approach to the Quantitative Calculation of Solvation Phenomena
inferredcites →https://doi.org/10.1021/j100291a062openalex-snapshot
Linear solvation energy relationships. 41. Important differences between aqueous solubility relationships for aliphatic and aromatic solutes
inferredcites →https://doi.org/10.1021/j100291a064openalex-snapshot
Is quantum Monte Carlo competitive? Lithium hydride test case
inferredcites →https://doi.org/10.1021/j100346a083openalex-snapshot
The first measurement of the hydrogen bond basicity of monomeric water, phenols and weakly basic alcohols
inferredcites →https://doi.org/10.1021/j100346a084openalex-snapshot
Partial molar volume of apolar gases in aqueous solutions from room temperature to supercritical conditions
inferredcites →https://doi.org/10.1021/ja00179a044openalex-snapshot
Additivity methods in molecular polarizability
inferredcites →https://doi.org/10.1021/ja00314a058openalex-snapshot
Solubility properties in polymers and biological media. 4. Correlation of octanol/water partition coefficients with solvatochromic parameters
inferredcites →https://doi.org/10.1021/ja00314a059openalex-snapshot
Photodimerization of Lewis acid complexes of cinnamate esters in solution and the solid state
inferredcites →https://doi.org/10.1021/ja00418a009openalex-snapshot
The solvatochromic comparison method. I. The .beta.-scale of solvent hydrogen-bond acceptor (HBA) basicities
inferredcites →https://doi.org/10.1021/ja00426a036openalex-snapshot
The solvatochromic comparison method. 2. The .alpha.-scale of solvent hydrogen-bond donor (HBD) acidities
inferredcites →https://doi.org/10.1021/ja00863a009openalex-snapshot
Some Flash-photolytic and Photochemical Studies of Retinene and Related Compounds
inferredcites →https://doi.org/10.1021/ja01045a038openalex-snapshot
Studies of hydrogen-bonded complex formation with p-fluorophenol. V. Linear free energy relationships with OH reference acids
inferredcites →https://doi.org/10.1021/ja01561a080openalex-snapshot
Steric Effects in Organic Chemistry.
inferredcites →https://doi.org/10.1021/ja993663topenalex-snapshot
Prediction of Properties from Simulations: Free Energies of Solvation in Hexadecane, Octanol, and Water
inferredcites →https://doi.org/10.1021/jm011039xopenalex-snapshot
Development of New Hydrogen-Bond Descriptors and Their Application to Comparative Molecular Field Analyses
inferredcites →https://doi.org/10.1021/jo00165a018openalex-snapshot
Linear solvation energy relationships. 23. A comprehensive collection of the solvatochromic parameters, .pi.*, .alpha., and .beta., and some methods for simplifying the generalized solvatochromic equation
inferredcites →https://doi.org/10.1021/jo00165a019openalex-snapshot
Reaction of triflates with potassium diethyl phosphite. Formation of phosphate esters
inferredcites →https://doi.org/10.1021/jo001765sopenalex-snapshot
Hydrogen Bond Structural Group Constants
inferredcites →https://doi.org/10.1021/jo9617427openalex-snapshot
A Universal Organic Solvation Model
inferredcites →https://doi.org/10.1021/jp961297jopenalex-snapshot
The Electron Pair
inferredcites →https://doi.org/10.1021/jp983709popenalex-snapshot
Study on the Correlation and Prediction of Octanol/Water Partition Coefficients by Quantum Chemical Calculations
inferredcites →https://doi.org/10.1021/js990008aopenalex-snapshot
Correlation and estimation of gas–chloroform and water–chloroform partition coefficients by a linear free energy relationship method
inferredcites →https://doi.org/10.1023/a:1008743229409openalex-snapshot
Observations on the strength of hydrogen bonding
inferredcites →https://doi.org/10.1039/a604687hopenalex-snapshot
Prediction of water–octanol partition coefficients using theoretical descriptors derived from the molecular surface area and the electrostatic potential
inferredcites →https://doi.org/10.1039/a901867kopenalex-snapshot
The first basicity scale of fluoro-, chloro-, bromo- and iodo-alkanes: some cross-comparisons with simple alkyl derivatives of other elements
inferredcites →https://doi.org/10.1039/a908853iopenalex-snapshot
Theoretical prediction of hydrogen bond donor capacity
inferredcites →https://doi.org/10.1039/b102708popenalex-snapshot
Theoretical prediction of the polarity/polarizability parameter π2H
inferredcites →https://doi.org/10.1039/b104002mopenalex-snapshot
Protonation energies and the Laplacian of the electron density: A critical examination
inferredcites →https://doi.org/10.1039/p29920000723openalex-snapshot
Model solvent systems for QSAR. Part 2. Fragment values (‘f-values’) for the ‘critical quartet’
inferredcites →https://doi.org/10.1039/p29940001777openalex-snapshot
Hydrogen bonding. Part 34. The factors that influence the solubility of gases and vapours in water at 298 K, and a new method for its determination
inferredcites →https://doi.org/10.1080/10629360290002262openalex-snapshot
The components of the "critical quartet" log K ow values assessed by four commercial software packages
inferredcites →https://doi.org/10.1080/10629360290002785openalex-snapshot
A new scheme for electronegativity equalization as a source of electronic descriptors: Application to chemical reactivity
inferredcites →https://doi.org/10.1515/ci.2005.27.1.33openalex-snapshot
Physical Organic Chemistry

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9783527632220.refsopenalex-snapshot
References
inferred← citeshttps://doi.org/10.1002/cctc.201900115openalex-snapshot
A Computational Investigation of OME‐synthesis through Homogeneous Acid Catalysis
inferred← citeshttps://doi.org/10.1002/chin.200431196openalex-snapshot
Theoretical Scales of Hydrogen Bond Acidity and Basicity for Application in QSAR/QSPR Studies and Drug Design. Partitioning of Aliphatic Compounds.
inferred← citeshttps://doi.org/10.1002/cphc.202200780openalex-snapshot
Empirical Hydrogen Bonding Donor (HBD) Parameters of Organic Solvents Using Solvatochromic Probes – A Critical Evaluation
inferred← citeshttps://doi.org/10.1002/elan.200603554openalex-snapshot
Electrochemical DNA Biosensor for Testing Pentamidine and Its Analogues as Potential Chemotherapeutics
inferred← citeshttps://doi.org/10.1002/poc.1065openalex-snapshot
An improved characteristic molecular volume parameter for linear solvation energy relationships of acyclic alkanes
inferred← citeshttps://doi.org/10.1002/poc.1834openalex-snapshot
Prediction models for the Abraham hydrogen bond donor strength: comparison of semi‐empirical,ab initio, and DFT methods
inferred← citeshttps://doi.org/10.1002/poc.2966openalex-snapshot
Distinctive thermodynamic properties of solute–solvent hydrogen bonds in self‐associated solvents
inferred← citeshttps://doi.org/10.1002/wcms.1698openalex-snapshot
Chemical complexity challenge: Is multi‐instance machine learning a solution?
inferred← citeshttps://doi.org/10.1007/978-3-319-27282-5_52openalex-snapshot
Application of Quantum Mechanics and Molecular Mechanics in Chemoinformatics
inferred← citeshttps://doi.org/10.1007/978-94-007-6169-8_52-1openalex-snapshot
Application of Quantum Mechanics and Molecular Mechanics in Chemoinformatics
inferred← citeshttps://doi.org/10.1007/s00894-011-1024-5openalex-snapshot
Application of electron conformational–genetic algorithm approach to 1,4-dihydropyridines as calcium channel antagonists: pharmacophore identification and bioactivity prediction
inferred← citeshttps://doi.org/10.1007/s10570-019-02649-wopenalex-snapshot
Mass transport during coagulation of cellulose-ionic liquid solutions in different non-solvents
inferred← citeshttps://doi.org/10.1007/s13197-018-3170-6openalex-snapshot
Extraction and recovery of phytochemical components and antioxidative properties in fruit parts of Dacryodes rostrata influenced by different solvents
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00242-xopenalex-snapshot
Quantitative Structure–Activity Relationship – A Historical Perspective and the Future
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12341-8openalex-snapshot
Empirical and Physics-Based Calculations of Physical–Chemical Properties
inferred← citeshttps://doi.org/10.1016/b978-0-12-821978-2.00138-0openalex-snapshot
Quantum Chemical and Informatics-Based Approaches for Probing Biomolecular Systems Toxicology
inferred← citeshttps://doi.org/10.1016/b978-0-443-29808-0.00058-3openalex-snapshot
Empirical and physics-based calculations of physical-chemical properties
inferred← citeshttps://doi.org/10.1016/j.chroma.2013.06.036openalex-snapshot
High performance liquid chromatography of selected alkaloids in ion-exchange systems
inferred← citeshttps://doi.org/10.1016/j.compbiomed.2021.104222openalex-snapshot
Analogue discovery of safer alternatives to HCQ and CQ drugs for SAR-CoV-2 by computational design
inferred← citeshttps://doi.org/10.1016/j.dyepig.2014.05.023openalex-snapshot
Fluorescence properties, aluminium ion selective emission changes and self-assemblies of positional isomers of 4-(hydroxyphenylthio)naphthalene-1,2-diones
inferred← citeshttps://doi.org/10.1016/j.foodchem.2012.07.010openalex-snapshot
Increased significance of food wastes: Selective recovery of added-value compounds
inferred← citeshttps://doi.org/10.1016/j.heliyon.2019.e01304openalex-snapshot
QSAR study of anti-Human African Trypanosomiasis activity for 2-phenylimidazopyridines derivatives using DFT and Lipinski's descriptors
inferred← citeshttps://doi.org/10.1016/j.jct.2017.02.003openalex-snapshot
On Lewis acidity/basicity and hydrogen bonding in the equation-of-state approach
inferred← citeshttps://doi.org/10.1016/j.poly.2018.11.001openalex-snapshot
Weak acids with super-electron-donor dimetal complexes: Synergy in bifunctional activity
inferred← citeshttps://doi.org/10.1021/acs.jced.3c00394openalex-snapshot
Inferences of Acidity and Basicity from the Asymmetric Master Equation Method
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00574openalex-snapshot
Hydrogen-Bond Accepting Properties of New Heteroaromatic Ring Chemical Motifs: A Theoretical Study
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00410openalex-snapshot
Incorporation of Hydrogen Bond Angle Dependency into the Generalized Solvation Free Energy Density Model
inferred← citeshttps://doi.org/10.1021/cg3013427openalex-snapshot
Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane
inferred← citeshttps://doi.org/10.1021/ci049688fopenalex-snapshot
Theoretical Prediction of the Abraham Hydrogen Bond Acidity and Basicity Factors from a Reaction Field Method
inferred← citeshttps://doi.org/10.1021/ci800323qopenalex-snapshot
New Developments in Hydrogen Bonding Acidity and Basicity of Small Organic Molecules for the Prediction of Physical and ADMET Properties. Part 2. The Universal Solvation Equation
inferred← citeshttps://doi.org/10.1021/cr900238dopenalex-snapshot
Quantitative Correlation of Physical and Chemical Properties with Chemical Structure: Utility for Prediction
inferred← citeshttps://doi.org/10.1021/es048977hopenalex-snapshot
Semiempirical Model for Organic Aerosol Growth by Acid-Catalyzed Heterogeneous Reactions of Organic Carbonyls
inferred← citeshttps://doi.org/10.1021/ie202550vopenalex-snapshot
Boiling Points of Ternary Azeotropic Mixtures Modeled with the Use of the Universal Solvation Equation and Neural Networks
inferred← citeshttps://doi.org/10.1039/b811056popenalex-snapshot
Predicting solvation energies for kinetic modeling
inferred← citeshttps://doi.org/10.1039/c1cp20336copenalex-snapshot
Prediction of gas solubilities in ionic liquids
inferred← citeshttps://doi.org/10.1039/c2ce26786aopenalex-snapshot
Linear free energy relationships in halogen bonds
inferred← citeshttps://doi.org/10.1039/c5cp01620gopenalex-snapshot
Nanoparticles in ionic liquids: interactions and organization
inferred← citeshttps://doi.org/10.1039/d3nj02509hopenalex-snapshot
The fundamental nature and importance of electrostatic potential in hydrogen bond formation: a case study of heterocycles frequently observed in drugs
inferred← citeshttps://doi.org/10.1063/5.0059652openalex-snapshot
A Database of Experimentally Derived and Estimated Octanol–Air Partition Ratios (KOA)
inferred← citeshttps://doi.org/10.1080/01496395.2013.860461openalex-snapshot
Extraction and Recovery of Rutin from Acerola Waste using Alcohol-Salt-Based Aqueous Two-Phase Systems
inferred← citeshttps://doi.org/10.1080/10826070701191052openalex-snapshot
Structure‐Retention Correlation in Liquid Chromatography for Pharmaceutical Applications
inferred← citeshttps://doi.org/10.1107/s2052520613033003openalex-snapshot
Hydrogen-bond coordination in organic crystal structures: statistics, predictions and applications
inferred← citeshttps://doi.org/10.1186/s13321-019-0381-4openalex-snapshot
Machine learning models for hydrogen bond donor and acceptor strengths using large and diverse training data generated by first-principles interaction free energies
inferred← citeshttps://doi.org/10.2174/1874136300802010022openalex-snapshot
Solvation Parameters of Solutes: An Attempt of Improvements in Characterization and Determination
inferred← citeshttps://doi.org/10.5562/cca3258openalex-snapshot
The Hydrogen-bond Basicity of Carbenes
inferred← citeshttps://doi.org/10.70675/caf64ba3zd822z45b5zbba8zae764cec5787openalex-snapshot
Oxygen reduction reaction mechanism on glassy carbon in aprotic organic solvents
Editorial review for independent work. ICSAC — the Institute for Complexity Science and Advanced Computing — runs a structured editorial panel for researchers publishing outside journals, and publishes on CiteStamp rails. Submission is free and goes through ORCID: icsacinstitute.org/submit.