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QSAR for Boiling Points of “Small” Sulfides. Are the “High-Quality Structure-Property-Activity Regressions” the Real High Quality QSAR Models?
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9783527616824openalex-snapshot
QSAR: Hansch Analysis and Related Approaches
inferredcites →https://doi.org/10.1002/jcc.540110802openalex-snapshot
Combinatorial models and algorithms in chemistry. The expanded Wiener number—a novel topological index
inferredcites →https://doi.org/10.1016/b978-0-444-88931-7.50001-3openalex-snapshot
Pharmacochemistry Library
inferredcites →https://doi.org/10.1016/s0165-6147(00)89046-xopenalex-snapshot
QSAR: Hansch analysis and related approaches
inferredcites →https://doi.org/10.1021/ci00007a012openalex-snapshot
Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited
inferredcites →https://doi.org/10.1021/ci00014a017openalex-snapshot
Inverse problem in QSAR/QSPR studies for the case of topological indexes characterizing molecular shape (Kier indices)
inferredcites →https://doi.org/10.1021/ci940128yopenalex-snapshot
A Neural Device for Searching Direct Correlations between Structures and Properties of Chemical Compounds
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Computer Generation of Molecular Structures by the SMOG Program
inferredcites →https://doi.org/10.1021/ci970015popenalex-snapshot
Irredundant Generation of Isomeric Molecular Structures with Some Known Fragments
inferredcites →https://doi.org/10.1021/ci970021lopenalex-snapshot
Design of Topological Indices. Part 10. Parameters Based on Electronegativity and Covalent Radius for the Computation of Molecular Graph Descriptors for Heteroatom-Containing Molecules
inferredcites →https://doi.org/10.1021/ci9900175openalex-snapshot
On Topological Indices, Boiling Points, and Cycloalkanes
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/ja01193a006openalex-snapshot
Raman Spectra of Aqueous Solutions of Potassium Thiocyanate
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/0471266949.bmc002openalex-snapshot
Recent Trends in Quantitative Structure‐Activity Relationships
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Origin of the OECD Principles for QSAR Validation and Their Role in Changing the QSAR Paradigm Worldwide: An Historical Overview
inferred← citeshttps://doi.org/10.1002/chin.200145258openalex-snapshot
ChemInform Abstract: QSAR for Boiling Points of “Small” Sulfides. Are the “High‐Quality Structure—Property—Activity Regressions” the Real High Quality QSAR Models?
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QSAR model reproducibility and applicability: A case study of rate constants of hydroxyl radical reaction models applied to polybrominated diphenyl ethers and (benzo‐)triazoles
inferred← citeshttps://doi.org/10.1002/qsar.200390007openalex-snapshot
The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models
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Principles of QSAR models validation: internal and external
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QSAR Modeling of GPCR Ligands: Methodologies and Examples of Applications
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Chemometric Methods and Theoretical Molecular Descriptors in Predictive QSAR Modeling of the Environmental Behavior of Organic Pollutants
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From QSAR to QSIIR: Searching for Enhanced Computational Toxicology Models
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Recent Trends in Statistical QSAR Modeling of Environmental Chemical Toxicity
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Chemometrics for QSAR Modeling
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Statistical methods and parameters: Tools to generate and evaluate theoretical in silico models
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QSAR approach for combating cancer cells
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Chemometrics in QSAR
inferred← citeshttps://doi.org/10.1016/j.chemolab.2014.09.020openalex-snapshot
QSPR analysis for the retention index of flavors and fragrances on a OV-101 column
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Interpretable linear and nonlinear quantitative structure-selectivity relationship (QSSR) modeling of a biomimetic catalytic system by particle swarm optimization based sparse regression
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Determination and prediction of xenoestrogens by recombinant yeast-based assay and QSAR
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2016.01.013openalex-snapshot
Comparison of prediction methods for octanol-air partition coefficients of diverse organic compounds
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A chemometrics approach to predict the dispersibility of graphene in various liquid phases using theoretical descriptors and solvent empirical parameters
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Variable connectivity index as a tool for solving the ‘anti-connectivity’ problem
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Identification of estrogen receptor agonists among hydroxylated polychlorinated biphenyls using classification-based quantitative structure–activity relationship models
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A comparative QSAR study on the estrogenic activities of persistent organic pollutants by PLS and SVM
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Chapter 7 Variable Selection QSAR Modeling, Model Validation, and Virtual Screening
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Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection
inferred← citeshttps://doi.org/10.1023/a:1021372108686openalex-snapshot
Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection
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Fragmental descriptors in QSPR: application to molecular polarizability calculations
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Calculation of the Enthalpy of Sublimation by the QSPR Method with the Use of a Fragment Approach
inferred← citeshttps://doi.org/10.1023/b:rucb.0000009629.38661.4copenalex-snapshot
Fragmental descriptors in QSPR: flash point calculations
inferred← citeshttps://doi.org/10.1023/b:rujo.0000043708.34952.eeopenalex-snapshot
QSPR: Application to Heat Capacity Calculation
inferred← citeshttps://doi.org/10.1080/1062936x.2015.1076890openalex-snapshot
On the history of the connectivity index: from the connectivity index to the exact solution of the protein alignment problem
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Fragment descriptors in the QSPR method: Their use for calculating the enthalpies of vaporization of organic substances
inferred← citeshttps://doi.org/10.1135/cccc2010143openalex-snapshot
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Quantitative Structure-activity Relationship Analysis for Predicting Lipophilicity of Aniline Derivatives (Including some Pharmaceutical Compounds)
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Management of Post Laser In Situ Keratomileusis Ectasia with Simultaneous Topography Guided Photorefractive Keratectomy and Collagen Cross-Linking
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Calculation of the stability of β-cyclodextrin complexes of organic compounds using the QSPR approach
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Structure–property models of organic compounds based on molecular graphs with elements of the spatial structures of the molecules
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Quantitative Structure-Activity Relationships of 1.2.3 Triazole Derivatives as Aromatase Inhibition Activity
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Principles of QSAR Modeling
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