Molecular Quantum Similarity Measures from Fermi Hole Densities: Modeling Hammett Sigma Constants

Journal of Chemical Information and Modeling ◽

10.1021/ci050061m ◽

2006 ◽

Vol 46 (3) ◽

pp. 1388-1393 ◽

Author(s):

Xavier Gironés ◽

Robert Ponec

Keyword(s):

Similarity Measures ◽

Quantum Similarity ◽

Quantum Similarity Measures ◽

Molecular Quantum Similarity ◽

Molecular Quantum Similarity Measures

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

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci9800108 ◽

1998 ◽

Vol 38 (4) ◽

pp. 624-631 ◽

Author(s):

Lluís Amat ◽

David Robert ◽

Emili Besalú ◽

Ramon Carbó-Dorca

Keyword(s):

Validation Study ◽

Similarity Measures ◽

3D Qsar ◽

Quantum Similarity ◽

Quantum Similarity Measures ◽

Molecular Quantum Similarity ◽

Molecular Quantum Similarity Measures

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

Molecular Engineering ◽

10.1007/bf00999522 ◽

1992 ◽

Vol 2 (1) ◽

pp. 43-64 ◽

Author(s):

Ramon Carb� ◽

Blanca Calabuig ◽

Emili Besal� ◽

Antoni Mart�nez

Keyword(s):

Theoretical Calculations ◽

Similarity Measures ◽

Experimental Results ◽

Quantum Similarity ◽

Quantum Similarity Measures ◽

Molecular Quantum Similarity ◽

Molecular Quantum Similarity Measures ◽

General Connection

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Quantum objects, density functions and molecular quantum similarity measures

Lecture Notes in Chemistry - Molecular Quantum Similarity in QSAR and Drug Design ◽

10.1007/978-3-642-57273-9_2 ◽

2000 ◽

pp. 6-25

Author(s):

Ramon Carbó-Dorca ◽

David Robert ◽

Lluís Amat ◽

Xavier Gironés ◽

Emili Besalú

Keyword(s):

Similarity Measures ◽

Density Functions ◽

Quantum Similarity ◽

Quantum Similarity Measures ◽

Quantum Objects ◽

Molecular Quantum Similarity ◽

Molecular Quantum Similarity Measures

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A Formal Comparison between Molecular Quantum Similarity Measures and Indices

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci970105u ◽

1998 ◽

Vol 38 (3) ◽

pp. 469-475 ◽

Author(s):

David Robert ◽

Ramon Carbó-Dorca

Keyword(s):

Similarity Measures ◽

Quantum Similarity ◽

Quantum Similarity Measures ◽

Molecular Quantum Similarity ◽

Molecular Quantum Similarity Measures

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Molecular quantum similarity measures in Minkowski metric vector semispaces

Journal of Mathematical Chemistry ◽

10.1007/s10910-008-9442-z ◽

2008 ◽

Vol 44 (3) ◽

pp. 628-636 ◽

Author(s):

Ramon Carbó-Dorca

Keyword(s):

Similarity Measures ◽

Quantum Similarity ◽

Minkowski Metric ◽

Vector Semispaces ◽

Quantum Similarity Measures ◽

Molecular Quantum Similarity ◽

Molecular Quantum Similarity Measures

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Aromatic Compounds Aquatic Toxicity QSAR Using Molecular Quantum Similarity Measures

SAR and QSAR in Environmental Research ◽

10.1080/10629369908039109 ◽

1999 ◽

Vol 10 (5) ◽

pp. 401-422 ◽

Author(s):

D. Robert ◽

R. Carbó-Dorca

Keyword(s):

Aromatic Compounds ◽

Aquatic Toxicity ◽

Similarity Measures ◽

Quantum Similarity ◽

Quantum Similarity Measures ◽

Molecular Quantum Similarity ◽

Molecular Quantum Similarity Measures

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Molecular quantum similarity measures as an alternative to log P values in QSAR studies

Journal of Computational Chemistry ◽

10.1002/(sici)1096-987x(19981115)19:14<1575::aid-jcc3>3.0.co;2-g ◽

1998 ◽

Vol 19 (14) ◽

pp. 1575-1583 ◽

Author(s):

Llu�s Amat ◽

Ramon Carb�-Dorca ◽

Robert Ponec

Keyword(s):

Similarity Measures ◽

Log P ◽

Quantum Similarity ◽

P Values ◽

Qsar Studies ◽

Quantum Similarity Measures ◽

Molecular Quantum Similarity ◽

Molecular Quantum Similarity Measures

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Descriptors and Probability Distributions in MO Theory: Weighted Mulliken Matrices and Molecular Quantum Similarity Measures

Journal of Mathematical Chemistry ◽

10.1007/s10910-005-9049-6 ◽

2006 ◽

Vol 39 (3-4) ◽

pp. 551-591 ◽

Author(s):

Ramon Carbó-Dorca

Keyword(s):

Probability Distributions ◽

Similarity Measures ◽

Quantum Similarity ◽

Quantum Similarity Measures ◽

Molecular Quantum Similarity ◽

Molecular Quantum Similarity Measures ◽

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

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci980410v ◽

1999 ◽

Vol 39 (2) ◽

pp. 333-344 ◽

Author(s):

David Robert ◽

Lluís Amat ◽

Ramon Carbó-Dorca

Keyword(s):

Three Dimensional ◽

Similarity Measures ◽

Quantum Similarity ◽

Quantitative Structure ◽

Quantum Similarity Measures ◽

Structure Activity ◽

Corticosteroid Binding Globulin ◽

Molecular Quantum Similarity ◽

Molecular Quantum Similarity Measures ◽

Quantitative Structure Activity Relationships

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Analyzing the Triple Density Molecular Quantum Similarity Measures with the INDSCAL Model

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci970121r ◽

1998 ◽

Vol 38 (4) ◽

pp. 620-623 ◽

Author(s):

David Robert ◽

Ramon Carbó-Dorca

Keyword(s):

Similarity Measures ◽

Quantum Similarity ◽

Quantum Similarity Measures ◽

Molecular Quantum Similarity ◽

Molecular Quantum Similarity Measures

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