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QSPR Modeling of Lipid-Water Partition Coefficient by Optimization of Correlation Weights of Local Graph Invariants
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/0471266949openalex-snapshot
Burger's Medicinal Chemistry and Drug Discovery
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On computation of optimal parameters for multivariate analysis of structure‐property relationship
inferredcites →https://doi.org/10.1002/jcc.540120815openalex-snapshot
A computer automated structure evaluation (CASE) approach to calculation of partition coefficient
inferredcites →https://doi.org/10.1002/jps.2600800807openalex-snapshot
Percutaneous Penetration of Drugs: A Quantitative Structure–Permeability Relationship Study
inferredcites →https://doi.org/10.1002/qsar.19910100410openalex-snapshot
Comprehensive Medicinal Chemistry
inferredcites →https://doi.org/10.1002/qsar.19950140208openalex-snapshot
Reply to H. Kubinyi's Rebuttal
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Automatic log P estimation based on combined additive modeling methods
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Optimal characterization of structure for prediction of properties
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Calculation of total molecular electronic energies from Correlation Weighting of Local Graph Invariants
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Novel graph theoretical approach to heteroatoms in quantitative structure—activity relationships
inferredcites →https://doi.org/10.1016/b978-0-12-013322-2.50005-xopenalex-snapshot
Atom Description in QSAR Models: Development and Use of an Atom Level Index
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/s0009-2614(00)01126-xopenalex-snapshot
QSPR modeling of the enthalpy of formation from elements by means of correlation weighting of local invariants of atomic orbital molecular graphs
inferredcites →https://doi.org/10.1016/s0097-8485(01)00121-8openalex-snapshot
Improved QSPR analysis of standard entropy of acyclic and aromatic compounds using optimized correlation weights of linear graph invariants
inferredcites →https://doi.org/10.1016/s0166-1280(00)00822-8openalex-snapshot
Improved molecular descriptors to calculate boiling points based on the optimization of correlation weights of local graph invariants
inferredcites →https://doi.org/10.1021/ci00002a018openalex-snapshot
Resolution of ambiguities in structure-property studies by use of orthogonal descriptors
inferredcites →https://doi.org/10.1021/ci00002a019openalex-snapshot
The Beilstein Structure Registry System. 1. General design
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Atomic physicochemical parameters for three-dimensional-structure-directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic interactions
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Optimal Molecular Descriptors Based on Weighted Path Numbers
inferredcites →https://doi.org/10.1021/ci980139hopenalex-snapshot
A Comparative QSAR Study Using Wiener, Szeged, and Molecular Connectivity Indices
inferredcites →https://doi.org/10.1021/jo01265a071openalex-snapshot
Linear free-energy relationship between partition coefficients and the aqueous solubility of organic liquids
inferredcites →https://doi.org/10.1021/jp980230oopenalex-snapshot
Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods
inferredcites →https://doi.org/10.1515/9783112706992openalex-snapshot
Theoretical Drug Design Methods
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Improved Molecular Descriptors Based on the Optimization of Correlation Weights of Local Graph Invariants
inferredcites →https://doi.org/10.3390/i4050272openalex-snapshot
Structure–Toxicity Relationships for Aliphatic Compounds Based on Correlation Weighting of Local Graph Invariants
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.200417226openalex-snapshot
QSPR Modeling of Lipid‐Water Partition Coefficient by Optimization of Correlation Weights of Local Graph Invariants.
inferred← citeshttps://doi.org/10.1002/qsar.200610112openalex-snapshot
QSPR ofn‐Octanol/Water Partition Coefficient of Nonionic Organic Compounds Using Extended Topochemical Atom (ETA) Indices
inferred← citeshttps://doi.org/10.1002/qsar.200610135openalex-snapshot
QSAR Modeling of Acute Toxicity for Nitrobenzene Derivatives Towards Rats: Comparative Analysis by MLRA and Optimal Descriptors
inferred← citeshttps://doi.org/10.1002/qsar.200630072openalex-snapshot
QSAR Modeling of PeripheralVersusCentral Benzodiazepine Receptor Binding Affinity of 2‐Phenylimidazo[1,2‐a]pyridineacetamides using Optimal Descriptors Calculated with SMILES
inferred← citeshttps://doi.org/10.1002/qsar.200710006openalex-snapshot
Multiple Linear Regression Analysis and Optimal Descriptors: Predicting the Cholesteryl Ester Transfer Protein Inhibition Activity
inferred← citeshttps://doi.org/10.1007/7653_2019_34openalex-snapshot
In Vitro-In Vivo Extrapolation to Predict Bioaccumulation and Toxicity of Chemicals in Fish Using Physiologically Based Toxicokinetic Models
inferred← citeshttps://doi.org/10.1007/978-1-4020-6845-4_14openalex-snapshot
New Approach to QSPR Modeling of Fullerene C60 Solubility in Organic Solvents: An Application of SMILES-Based Optimal Descriptors
inferred← citeshttps://doi.org/10.1007/s00894-004-0224-7openalex-snapshot
QSPR modeling of the water solubility of diverse functional aliphatic compounds by optimization of correlation weights of local graph invariants
inferred← citeshttps://doi.org/10.1007/s11224-010-9669-8openalex-snapshot
Quantitative structure–property relationship studies of gas-to-wet butyl acetate partition coefficient of some organic compounds using genetic algorithm and artificial neural network
inferred← citeshttps://doi.org/10.1016/j.bmc.2005.07.059openalex-snapshot
QSAR of the testosterone binding globulin affinity by means of correlation weighting of local invariants of the graph of atomic orbitals
inferred← citeshttps://doi.org/10.1016/j.bmc.2008.03.048openalex-snapshot
Additive SMILES-based optimal descriptors in QSAR modelling bee toxicity: Using rare SMILES attributes to define the applicability domain
inferred← citeshttps://doi.org/10.1016/j.bmc.2008.04.055openalex-snapshot
QSAR modeling of acute toxicity by balance of correlations
inferred← citeshttps://doi.org/10.1016/j.bmcl.2005.10.057openalex-snapshot
QSAR study for mycobacterial promoters with low sequence homology
inferred← citeshttps://doi.org/10.1016/j.bmcl.2005.12.085openalex-snapshot
QSAR models of quail dietary toxicity based on the graph of atomic orbitals
inferred← citeshttps://doi.org/10.1016/j.cej.2008.10.016openalex-snapshot
Solubility-dependent melting temperature depression of binary substrate mixtures: A model study
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2013.03.012openalex-snapshot
QSAR as a random event: Modeling of nanoparticles uptake in PaCa2 cancer cells
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2013.10.079openalex-snapshot
Optimal descriptor as a translator of eclectic data into endpoint prediction: Mutagenicity of fullerene as a mathematical function of conditions
inferred← citeshttps://doi.org/10.1016/j.ecoenv.2015.09.038openalex-snapshot
Nano-QSAR: Model of mutagenicity of fullerene as a mathematical function of different conditions
inferred← citeshttps://doi.org/10.1016/j.ejmech.2006.06.006openalex-snapshot
Comparison of QSPR models of octanol/water partition coefficient for vitamins and non vitamins
inferred← citeshttps://doi.org/10.1016/j.matlet.2007.03.026openalex-snapshot
Predicting thermal conductivity of nanomaterials by correlation weighting technological attributes codes
inferred← citeshttps://doi.org/10.1016/j.theochem.2004.10.003openalex-snapshot
Nearest neighboring code and hydrogen bond index in labeled hydrogen-filled graph and graph of atomic orbitals: application to model of normal boiling points of haloalkanes
inferred← citeshttps://doi.org/10.1021/es2043728openalex-snapshot
Predicting Concentrations of Organic Chemicals in Fish by Using Toxicokinetic Models
inferred← citeshttps://doi.org/10.1023/b:modi.0000047498.49219.abopenalex-snapshot
QSPR modeling the aqueous solubility of alcohols by optimization of correlation weights of local graph invariants
inferred← citeshttps://doi.org/10.1023/b:modi.0000047519.35591.b7openalex-snapshot
Topological descriptors in drug design and modeling studies
inferred← citeshttps://doi.org/10.1134/s0022476612020096openalex-snapshot
Prediction of gas to water partition coefficient of some organic compounds using theoretically derived molecular descriptors
inferred← citeshttps://doi.org/10.11606/d.75.2007.tde-27032008-075711openalex-snapshot
Relações estrutura-retenção de flavonóides por cromatografia a líquido em membranas imobilizadas artificialmente
inferred← citeshttps://doi.org/10.17756/nwj.2016-034openalex-snapshot
Quasi-QSPR to Predict Proteins Behavior Under Various Concentrations of Drug Using Nanoconductometric Assay
inferred← citeshttps://doi.org/10.2174/1568026611313140011openalex-snapshot
General Theory for Multiple Input-Output Perturbations in Complex Molecular Systems. 1. Linear QSPR Electronegativity Models in Physical, Organic, and Medicinal Chemistry
inferred← citeshttps://doi.org/10.5281/zenodo.158232openalex-snapshot
Figure 1 In A Revision Of The Western Australian Endemic Humicolous Beetle Genus Tympallopatrum Perkins (Coleoptera: Hydraenidae)
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