Fitted electronic density functions from H to Rn for use in quantum similarity measures: cis-diamminedichloroplatinum(II) complex as an application example

Journal of Computational Chemistry ◽

10.1002/(sici)1096-987x(19990715)20:9<911::aid-jcc2>3.0.co;2-o ◽

1999 ◽

Vol 20 (9) ◽

pp. 911-920 ◽

Author(s):

Llu�s Amat ◽

Ramon Carb�-Dorca

Keyword(s):

Similarity Measures ◽

Density Functions ◽

Quantum Similarity ◽

Electronic Density ◽

Quantum Similarity Measures

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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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Fuzzy sets and boolean tagged sets; vector semispaces and convex sets; quantum similarity measures and asa density functions; diagonal vector spaces and quantum chemistry

Advances in Molecular Similarity - Advances in Molecular Similarity Volume 2 ◽

10.1016/s1873-9776(98)80008-4 ◽

1999 ◽

pp. 43-72 ◽

Author(s):

Ramon Carbó-Dorca

Keyword(s):

Quantum Chemistry ◽

Convex Sets ◽

Similarity Measures ◽

Vector Spaces ◽

Density Functions ◽

Quantum Similarity ◽

Vector Semispaces ◽

Quantum Similarity Measures ◽

Tagged Sets ◽

Boolean Tagged Sets

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Diagonal coefficient representation of density functions and quantum similarity measures

Journal of Mathematical Chemistry ◽

10.1007/s10910-008-9441-0 ◽

2008 ◽

Vol 44 (3) ◽

pp. 621-627 ◽

Author(s):

Ramon Carbó-Dorca

Keyword(s):

Similarity Measures ◽

Density Functions ◽

Quantum Similarity ◽

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 Quantum Similarity Measures and the Tensorial Representation of Molecular Quantum Object Sets

Computational and Experimental Chemistry ◽

10.1201/b15459-20 ◽

2013 ◽

pp. 299-345

Keyword(s):

Similarity Measures ◽

Quantum Similarity ◽

Quantum Object ◽

Quantum Similarity Measures ◽

Quantum Object Sets

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General trends in atomic and nuclear quantum similarity measures

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(2000)77:3<685::aid-qua8>3.0.co;2-2 ◽

2000 ◽

Vol 77 (3) ◽

pp. 685-692 ◽

Author(s):

David Robert ◽

Ramon Carb�-Dorca

Keyword(s):

Similarity Measures ◽

Quantum Similarity ◽

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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Simple Linear QSAR Models Based on Quantum Similarity Measures

Journal of Medicinal Chemistry ◽

10.1021/jm9910728 ◽

1999 ◽

Vol 42 (25) ◽

pp. 5169-5180 ◽

Author(s):

Lluís Amat ◽

Ramon Carbó-Dorca ◽

Robert Ponec

Keyword(s):

Similarity Measures ◽

Quantum Similarity ◽

Quantum Similarity Measures ◽

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Communications on quantum similarity (2): A geometric discussion on holographic electron density theorem and confined quantum similarity measures

Journal of Computational Chemistry ◽

10.1002/jcc.21537 ◽

2010 ◽

pp. NA-NA ◽

Author(s):

R. Carbó-Dorca ◽

E. Besalú

Keyword(s):

Electron Density ◽

Similarity Measures ◽

Density Theorem ◽

Quantum Similarity ◽

Holographic Electron Density Theorem ◽

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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