(Q62511384)

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Fundamental quantum QSAR (Q2SAR) equation: extensions, nonlinear terms, and generalizations within extended Hilbert-Sobolev spaces

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Fundamental quantum QSAR (Q2SAR) equation: extensions, nonlinear terms, and generalizations within extended Hilbert-Sobolev spaces (English)

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author

Ramon Carbó-Dorca i Carré

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1

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Ramon Carbó-Dorca

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author name string

Emili Besalú

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2

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publication date

2002

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published in

International Journal of Quantum Chemistry

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volume

88

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issue

1

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page(s)

167-182

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Quantum molecular similarity measures (QMSM) as a natural way leading towards a theoretical foundation of quantitative structure-properties relationships (QSPR)

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21 January 2018

Molsimil - 88: Molecular similarity calculations using a CNDO-like approximation

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Quantum molecular similarity measures and the n-dimensional representation of a molecular set: phenyldimethylthiazines

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21 January 2018

Molecular Quantum Similarity: theoretical Framework, Ordering Principles, and Visualization Techniques

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21 January 2018

Molecular Quantum Similarity Measures Tuned 3D QSAR: An Antitumoral Family Validation Study

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21 January 2018

Three-Dimensional Quantitative Structure−Activity Relationships from Tuned Molecular Quantum Similarity Measures: Prediction of the Corticosteroid-Binding Globulin Binding Affinity for a Steroid Family

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21 January 2018

Using Molecular Quantum Similarity Measures as Descriptors in Quantitative Structure-Toxicity Relationships

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21 January 2018

Stochastic transformation of quantum similarity matrices and their use in quantum QSAR (QQSAR) models

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Application of Molecular Quantum Similarity to QSAR

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Structure-Activity Relationships of a Steroid Family using Quantum Similarity Measures and Topological Quantum Similarity Indices

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21 January 2018

Use of electron-electron repulsion energy as a molecular descriptor in QSAR and QSPR studies

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21 January 2018

Inward matrix products, generalised density functions and Rayleigh–Schrödinger perturbation theory

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On the calculation ofab initioquantum molecular similarities for large systems: Fitting the electron density

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Molecular electronic density fitting using elementary Jacobi rotations under atomic shell approximation

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Quantum mechanical origin of QSAR: theory and applications

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Triple density molecular quantum similarity measures: A general connection between theoretical calculations and experimental results

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Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction

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A distance based regression model for prediction with mixed data

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Definition and quantum chemical applications of nested summation symbols and logical functions: Pedagogical artificial intelligence devices for formulae writing, sequential programming and automatic parallel implementation

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10.1002/QUA.10081

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(Q62511384)

Fundamental quantum QSAR (Q2SAR) equation: extensions, nonlinear terms, and generalizations within extended Hilbert-Sobolev spaces

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