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Quality of Approximate Electron Densities and Internal Consistency of Molecular Alignment Algorithms in Molecular Quantum Similarity

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

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Quantum similarity measures under atomic shell approximation: First order density fitting using elementary Jacobi rotations
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TGSA: A molecular superposition program based on topo-geometrical considerations
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Stochastic transformation of quantum similarity matrices and their use in quantum QSAR (QQSAR) models
inferredcites →https://doi.org/10.1002/qsar.19970160605openalex-snapshot
Structure‐Activity Relationships of a Steroid Family using Quantum Similarity Measures and Topological Quantum Similarity Indices
inferredcites →https://doi.org/10.1002/qua.10068openalex-snapshot
Use of promolecular ASA density functions as a general algorithm to obtain starting MO in SCF calculations
inferredcites →https://doi.org/10.1007/978-3-642-57273-9openalex-snapshot
Molecular Quantum Similarity in QSAR and Drug Design
inferredcites →https://doi.org/10.1007/978-94-015-8488-3_1openalex-snapshot
Theoretical Foundation of Quantum Molecular Similarity
inferredcites →https://doi.org/10.1007/bf01165130openalex-snapshot
On quantum molecular similarity measures (QMSM) and indices (QMSI)
inferredcites →https://doi.org/10.1016/s0166-1280(98)00155-9openalex-snapshot
A general survey of molecular quantum similarity
inferredcites →https://doi.org/10.1021/ar010048xopenalex-snapshot
Molecular Quantum Similarity and the Fundamentals of QSAR
inferredcites →https://doi.org/10.1021/ci010348topenalex-snapshot
Modeling Large Macromolecular Structures Using Promolecular Densities
inferredcites →https://doi.org/10.1021/ci980410vopenalex-snapshot
Three-Dimensional Quantitative Structure−Activity Relationships from Tuned Molecular Quantum Similarity Measures: Prediction of the Corticosteroid-Binding Globulin Binding Affinity for a Steroid Family
inferredcites →https://doi.org/10.1021/ja00134a023openalex-snapshot
Autocorrelation of Molecular Surface Properties for Modeling Corticosteroid Binding Globulin and Cytosolic Ah Receptor Activity by Neural Networks
inferredcites →https://doi.org/10.1023/a:1020784004649openalex-snapshot
A General Analysis of Field-Based Molecular Similarity Indices
inferredcites →https://doi.org/10.1023/a:1021250527289openalex-snapshot
Shell Partition and Metric Semispaces: Minkowski Norms, Root Scalar Products, Distances and Cosines of Arbitrary Order

What points at this work

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

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Continuous Symmetry Measures: A New Tool in Quantum Chemistry
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Bibliography
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To What Extent are “Atoms in Molecules” Structures of Hydrocarbons Reproducible from the Promolecule Electron Densities?
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Quality of Approximate Electron Densities and Internal Consistency of Molecular Alignment Algorithms in Molecular Quantum Similarity.
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Notes on quantitative structure‐properties relationships (QSPR) (1): A discussion on a QSPR dimensionality paradox (QSPR DP) and its quantum resolution
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Symmetry measures of the electron density
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Quantum Similarity and Quantum Quantitative Structure-Properties Relationships (QQSPR)
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Geometric and electronic similarities between transition structures for electrocyclizations and sigmatropic hydrogen shifts
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Pattern recognition based on color-coded quantum mechanical surfaces for molecular alignment
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Why are information-theoretic descriptors powerful predictors of atomic and molecular polarizabilities
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Quantitative Structure–Retention Relationships of Polychlorinated Biphenyls (PCBs) Gas Chromatographic Retention Times: A Quantum Similarity Approach
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Influence of conformation on the representation of small flexible molecules at low resolution: alignment of endothiapepsin ligands
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Molecular alignment as a penalized permutation Procrustes problem
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Theoretical model for the polarization molecular and Hückel treatment of PhosphoCyclopentadiene in an external electric field: Hirschfeld study
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Quantum similarity description of a unique classical and quantum QSPR algorithm in molecular spaces: the connection with Boolean hypercubes, algorithmic intelligence, and Gödel's incompleteness theorems
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Molecular quantum similarity of enantiomers of amino acids: a case study
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LCAO MO first order density functions: Partition in monocentric and bicentric terms, reciprocal MO spaces, invariant transformations and Euclidian atomic populations
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Quantum similarity of isosteres coordinate versus momentum space and influence of alignment
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Coulomb and Overlap Self-Similarities: A Comparative Selectivity Analysis of Structure−Function Relationships for Auxin−like Molecules
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Structural Identification of Local Maxima in Low-Resolution Promolecular Electron Density Distributions
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Similarity and Chirality: Quantum Chemical Study of Dissimilarity of Enantiomers
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Molecular Quantum Similarity of Enantiomers: Substituted Allenes
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Molecular Quantum Similarity and Chirality: Enantiomers with Two Asymmetric Centra
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Information Theoretical Study of Chirality: Enantiomers with One and Two Asymmetric Centra
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Alternative Kullback−Leibler Information Entropy for Enantiomers
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Analytical and numerical development for the two-centre overlap-like quantum similarity integrals over Slater-type functions
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Nanocrystal energetics via quantum similarity measures
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Description of non-covalent interactions in benzyl chalcocyanate crystals from smoothed Cromer–Mann electron density distribution functions
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Hierarchical analysis of promolecular full electron-density distributions: description of protein structure fragments
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HÜCKEL TREATMENT OF PYRROLE AND PENTALENE AS A FUNCTION OF CYCLOPENTADIENYL USING LOCAL QUANTUM SIMILARITY INDEX (LQSI) AND THE TOPO-GEOMETRICAL SUPERPOSITION APPROACH (TGSA)
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Molecular Quantum Similarity
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Molecular Quantum Similarity
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Quantum Mechanical Methods for Drug Design
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