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Comparison of Weighting Schemes for Molecular Graph Descriptors: Application in Quantitative Structure−Retention Relationship Models for Alkylphenols in Gas−Liquid Chromatography

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Structure—retention correlations of isomeric alkylphenols in gas—liquid chromatography
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Prediction of gas chromatographic relative retention times of stimulants and narcotics
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Quantitative structure-retention relationship studies of sulfur vesicants
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Comparative study of molecular descriptors derived from the distance matrix
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Correlations between chemical structure and normal boiling points of acyclic ethers, peroxides, acetals, and their sulfur analogs
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Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited
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Similarity based on extended basis descriptors
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Wiener matrix: Source of novel graph invariants
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The Laplacian matrix in chemistry
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Local versus Global (i.e. Atomic versus Molecular) Numerical Modeling of Molecular Graphs
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Molecular identification number for substructure searches
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Vertex indexes of molecular graphs in structure-activity relationships: a study of the convulsant-anticonvulsant activity of barbiturates and the carcinogenicity of unsubstituted polycyclic aromatic hydrocarbons
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Use of vector processing to search the Cambridge Structural Database
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Walk Numbers eWM: Wiener-Type Numbers of Higher Rank
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Link between Orthogonal and Standard Multiple Linear Regression Models
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Wiener and Hyper-Wiener Numbers in a Single Matrix
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Edge Adjacency Relationships and Molecular Topographic Descriptors. Definition and QSAR Applications
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2-Difluoromethylthio-4,6-bis(monoalkylamino)-1,3,5-triazines as Inhibitors of Hill Reaction: A QSAR Study with Orthogonalized Descriptors
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Use of Topostructural, Topochemical, and Geometric Parameters in the Prediction of Vapor Pressure: A Hierarchical QSAR Approach
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Cluj Matrix Invariants
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Detour-Cluj Matrix and Derived Invariants
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Multivariate Regression Outperforms Several Robust Architectures of Neural Networks in QSAR Modeling
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Evaluation and Use of BCUT Descriptors in QSAR and QSPR Studies
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Metric Validation and the Receptor-Relevant Subspace Concept
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A New Efficient Approach for Variable Selection Based on Multiregression: Prediction of Gas Chromatographic Retention Times and Response Factors
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Atomic polarizability and electronegativity
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Ab initio IGLO studies of the conformational dependencies of .alpha.-, .beta.-, and .gamma.-substituent effects in the carbon-13 NMR spectra of aliphatic and alicyclic hydrocarbons
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Modeling the anticancer action of some retinoid compounds by making use of the OASIS method
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Chance factors in studies of quantitative structure-activity relationships
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A preliminary structure-activity study of the mixed-function oxidase inhibitor, 7,8-benzoflavone
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Chance correlations in structure-activity studies using multiple regression analysis
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2-Benzylaziridines. Cyclic analogs of amphetamines
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An Electrotopological-State Index for Atoms in Molecules
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Local (Atomic) and Global (Molecular) Graph-Theoretical Descriptors
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New Developments in QSPR/QSAR Modeling Based on Topological Indices
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Molecular Graph Matrices and Derived Structural Descriptors
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Modeling the Aqueous Solubility of Aliphatic Alcohols
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Topological Indices and Related Descriptors in QSAR and QSPR
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Vertex- and Edge-Weighted Molecular Graphs and Derived Structural Descriptors
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Matrices and Structural Descriptors Computed from Molecular Graph Distances
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What points at this work

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

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Topological Indices
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Electrotopological State Indices
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