On the public citation graph
A Quantitative Structure−Property Relationship Analysis of logP for Disubstituted Benzenes
0 signed · 77 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.
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known work and none has been retracted — and get a dated CiteStamped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.
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(199908)12:8<645::aid-poc165>3.0.co;2-sopenalex-snapshot
Using theoretical descriptors in linear free energy relationships: characterizing several polarity, acid and basicity scales
inferredcites →https://doi.org/10.1002/9780470171936.ch2openalex-snapshot
Substituent Effects in the Partition Coefficient of Disubstituted Benzenes: Bidirectional Hammett‐Type Relationships
inferredcites →https://doi.org/10.1002/9783906390406openalex-snapshot
Computer‐Assisted Lead Finding and Optimization
inferredcites →https://doi.org/10.1002/9783906390406.ch18openalex-snapshot
Experimental and Theoretical Predictions of Intestinal Drug Absorption
inferredcites →https://doi.org/10.1002/jps.2600810317openalex-snapshot
An Extended Version of a Novel Method for the Estimation of Partition Coefficients
inferredcites →https://doi.org/10.1002/poc.610050704openalex-snapshot
Using theoretical descriptors in quantitative structure activity relationships: Some physicochemical properties
inferredcites →https://doi.org/10.1002/qsar.19960150604openalex-snapshot
Estimation of Caco‐2 Cell Permeability using Calculated Molecular Descriptors
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/s008940050027openalex-snapshot
Prediction of the n-Octanol/Water Partition Coefficient, logP, Using a Combination of Semiempirical MO-Calculations and a Neural Network
inferredcites →https://doi.org/10.1016/0166-1280(94)80117-7openalex-snapshot
Statistically-based interaction indices derived from molecular surface electrostatic potentials: a general interaction properties function (GIPF)
inferredcites →https://doi.org/10.1016/s0022-328x(00)99651-7openalex-snapshot
Ab initio molecular orbital theory
inferredcites →https://doi.org/10.1016/s0166-1280(97)00162-0openalex-snapshot
Statistical analysis of the molecular surface electrostatic potential: an approach to describing noncovalent interactions in condensed phases
inferredcites →https://doi.org/10.1016/s0166-1280(98)00299-1openalex-snapshot
Theoretical alternatives to linear solvation energy relationships
inferredcites →https://doi.org/10.1016/s0223-5234(97)82764-xopenalex-snapshot
Octanol-water partition coefficients: Fundamentals and physical chemistry
inferredcites →https://doi.org/10.1021/ar50107a003openalex-snapshot
Ab initio molecular orbital theory
inferredcites →https://doi.org/10.1021/ci000065lopenalex-snapshot
Prediction of Polar Surface Area and Drug Transport Processes Using Simple Parameters and PLS Statistics
inferredcites →https://doi.org/10.1021/ci980226+openalex-snapshot
A Unified Treatment of Solvent Properties
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/cr00020a001openalex-snapshot
Calculating log Poct from structures
inferredcites →https://doi.org/10.1021/j100182a078openalex-snapshot
Polar intermolecular interactions encoded in partition coefficients: an indirect estimation of hydrogen-bond parameters of polyfunctional solutes
inferredcites →https://doi.org/10.1021/j100329a035openalex-snapshot
Linear solvation energy relationship. 46. An improved equation for correlation and prediction of octanol/water partition coefficients of organic nonelectrolytes (including strong hydrogen bond donor solutes)
inferredcites →https://doi.org/10.1021/ja00193a003openalex-snapshot
A new method for the estimation of partition coefficient
inferredcites →https://doi.org/10.1021/ja01077a028openalex-snapshot
A New Substituent Constant, π, Derived from Partition Coefficients
inferredcites →https://doi.org/10.1021/jm00109a021openalex-snapshot
Using theoretical descriptors in quantitative structure-activity relationships: some toxicological indices
inferredcites →https://doi.org/10.1021/jo00077a028openalex-snapshot
Octanol/water partition coefficients expressed in terms of solute molecular surface areas and electrostatic potentials
inferredcites →https://doi.org/10.1021/jo00105a020openalex-snapshot
Analysis of Solute/Solvent Interactions for the Acidity of Acetic Acids by Theoretical Descriptors
inferredcites →https://doi.org/10.1021/jp9638503openalex-snapshot
Molecular Size Based Approach To Estimate Partition Properties for Organic Solutes
inferredcites →https://doi.org/10.1021/jp984271wopenalex-snapshot
Prediction of Aqueous Solvation Free Energies from Properties of Solute Molecular Surface Electrostatic Potentials
inferredcites →https://doi.org/10.1021/js950285ropenalex-snapshot
Correlation of Drug Absorption with Molecular Surface Properties
inferredcites →https://doi.org/10.1021/js9804011openalex-snapshot
Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 1. Prediction of intestinal absorption
inferredcites →https://doi.org/10.1021/js980402topenalex-snapshot
Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 2. Prediction of blood–brain barrier penetration
inferredcites →https://doi.org/10.1023/a:1011107422318openalex-snapshot
Substructure and whole molecule approaches for calculating log P
inferredcites →https://doi.org/10.1023/a:1011905522110openalex-snapshot
Predicting Drug Absorption from Molecular Surface Properties Based on Molecular Dynamics Simulations
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/a702584jopenalex-snapshot
A model based QSPR analysis of the unified non-specific solvent polarity scale
inferredcites →https://doi.org/10.1039/a907100hopenalex-snapshot
Predictions of log P for aromatic compounds
inferredcites →https://doi.org/10.1039/b009114fopenalex-snapshot
Correlation between empirical solvent polarity scales and computed quantities derived from molecular surface electrostatic potentials
inferredcites →https://doi.org/10.1039/p29830000825openalex-snapshot
The octanol–water partition coefficient of aromatic solutes: the effect of electronic interactions, alkyl chains, hydrogen bonds, and ortho-substitution
inferredcites →https://doi.org/10.1039/p29880001699openalex-snapshot
A surface area approach to determination of partition coefficients
inferredcites →https://doi.org/10.1039/p29920000705openalex-snapshot
Model solvent systems for QSAR. Part 3. An LSER analysis of the ‘critical quartet.’ New light on hydrogen bond strength and directionality
inferredcites →https://doi.org/10.1080/00268979200101561openalex-snapshot
Quantitative determination of the total local polarity (charge separation) in molecules
inferredcites →https://doi.org/10.1139/v95-063openalex-snapshot
Family-independent relationships between computed molecular surface quantities and solute hydrogen bond acidity/basicity and solute-induced methanol O–H infrared frequency shifts
inferredcites →https://doi.org/10.2174/0929867305666220319102516openalex-snapshot
Octanol-Water Partition: Searching for Predictive Models
inferredcites →https://doi.org/10.3109/10611869808997889openalex-snapshot
Estimation of Blood-Brain Barrier Crossing of Drugs Using Molecular Size and Shape, and H-Bonding Descriptors
inferredcites →https://doi.org/10.3866/pku.whxb19971208openalex-snapshot
Monte Carlo Simulation Calculation of Volume and Surface Area of Molecule
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/ceur.202500384openalex-snapshot
Introducing the Cis‐ 2,3‐Bis(trifluoromethyl)cyclopropyl Chemotype: Late‐Stage Installation and Stereoelectronic Properties
inferred← citeshttps://doi.org/10.1002/chem.200400504openalex-snapshot
Ab Initio Study of the Complexes of Halogen‐Containing Molecules RX (X=Cl, Br, and I) and NH3: Towards Understanding the Nature of Halogen Bonding and the Electron‐Accepting Propensities of Covalently Bonded Halogen Atoms
inferred← citeshttps://doi.org/10.1002/jcc.26519openalex-snapshot
ClassicalGSG : Prediction of log P using classical molecular force fields and geometric scattering for graphs
inferred← citeshttps://doi.org/10.1002/minf.202200223openalex-snapshot
Gas‐to‐ionic liquid partition: QSPR modeling and mechanistic interpretation
inferred← citeshttps://doi.org/10.1002/qua.21369openalex-snapshot
Theoretical investigation on charge‐assisted halogen bonding interactions in the complexes of bromocarbons with some anions
inferred← citeshttps://doi.org/10.1002/slct.201701157openalex-snapshot
Synthesis, Crystal Structure, Fluorescence Assay, Molecular Docking and QSAR/QSPR Studies of Temephos Derivatives as Human and Insect Cholinesterase Inhibitors
inferred← citeshttps://doi.org/10.1007/s00894-018-3692-xopenalex-snapshot
Benchmark of different charges for prediction of the partitioning coefficient through the hydrophilic/lipophilic index
inferred← citeshttps://doi.org/10.1016/j.chemolab.2011.11.012openalex-snapshot
Predicting minimum alveolar concentration (MAC) of anesthetic agents by statistical modeling methods and theoretical descriptors derived from electrostatic potentials on molecular surface
inferred← citeshttps://doi.org/10.1016/j.chemolab.2013.06.012openalex-snapshot
Prediction of the complexation of structurally diverse compounds with β-cyclodextrin using structural descriptors derived from electrostatic potentials on molecular surface and different chemometric methods
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2006.07.072openalex-snapshot
QSPR/QSAR models for prediction of the physicochemical properties and biological activity of polybrominated diphenyl ethers
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2010.04.050openalex-snapshot
QSPR/QSAR models for prediction of the physico-chemical properties and biological activity of polychlorinated diphenyl ethers (PCDEs)
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2011.01.063openalex-snapshot
QSPR modeling of bioconcentration factor of nonionic compounds using Gaussian processes and theoretical descriptors derived from electrostatic potentials on molecular surface
inferred← citeshttps://doi.org/10.1016/j.ecoenv.2012.02.002openalex-snapshot
A quantitative structure–property relationship analysis of soot–water partition coefficients for persistent organic pollutants
inferred← citeshttps://doi.org/10.1016/j.jinorgbio.2021.111373openalex-snapshot
Prediction of the hydrophobicity of platinum(IV) complexes based on molecular surface properties
inferred← citeshttps://doi.org/10.1016/j.jmgm.2007.09.004openalex-snapshot
QSPR models for the physicochemical properties of halogenated methyl-phenyl ethers
inferred← citeshttps://doi.org/10.1016/j.jmgm.2016.01.007openalex-snapshot
Quantitative structure–hydrophobicity relationships of molecular fragments and beyond
inferred← citeshttps://doi.org/10.1016/j.jmgm.2022.108256openalex-snapshot
QSPR study on Hydrophobicity of Pt(II) complexes with surface electrostatic potential-based descriptors
inferred← citeshttps://doi.org/10.1016/j.jphotochem.2011.01.020openalex-snapshot
Preferential solvation through selective functional group recognition in p-nitroaniline
inferred← citeshttps://doi.org/10.1016/j.synthmet.2009.02.011openalex-snapshot
The effects of substituting oxygen for terminal nitrogen in aniline oligomers 2: A DFT comparison of diamino, dihydroxyl, and monoamino/monohydroxyl terminated aniline trimers
inferred← citeshttps://doi.org/10.1021/acs.jcim.6c01285openalex-snapshot
Toward the Engineering of Chameleonicity: Quantum Mechanical Prediction for the Octanol/Water Distributions of Large Flexible Triazine Macrocycles
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/jp027426fopenalex-snapshot
New Quantum Chemical Parameter for the Substituent Effect in Benzene Based on Charge Flux
inferred← citeshttps://doi.org/10.1039/d2cp02648aopenalex-snapshot
Molecular partition coefficient from machine learning with polarization and entropy embedded atom-centered symmetry functions
inferred← citeshttps://doi.org/10.1080/10643389.2014.955627openalex-snapshot
Prediction of the Fate of Organic Compounds in the Environment From Their Molecular Properties: A Review
inferred← citeshttps://doi.org/10.1080/10826070500451830openalex-snapshot
Chemometric Characterization of Chromatographic Retention Parameters of Mesoionic 1,3,4‐Thiadiazolium‐3‐Aminides by Molecular Interaction Fields
inferred← citeshttps://doi.org/10.1248/cpb.51.1196openalex-snapshot
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)
inferred← citeshttps://doi.org/10.3866/pku.whxb201406182openalex-snapshot
Quantitative Structure-Property Relationship Studies on the Adsorption of Aromatic Contaminants by Carbon Nanotubes
inferred← citeshttps://doi.org/10.4028/www.scientific.net/amr.518-523.2677openalex-snapshot
Prediction of Soot-Water Partition Coefficients for Persistent Organic Pollutants
inferred← citeshttps://doi.org/10.4028/www.scientific.net/amr.726-731.440openalex-snapshot
QSPR Models for the Physicochemical Properties of Polychlorinated Naphthalene Congeners
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.