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Original Articles

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

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Pages 545-556 | Received 16 Apr 1999, Accepted 26 Jun 1999, Published online: 24 Sep 2006

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J. Devillers, N. Marchand-Geneste, A. Carpy & J. M. Porcher. (2006) SAR and QSAR modeling of endocrine disruptors. SAR and QSAR in Environmental Research 17:4, pages 393-412.
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Articles from other publishers (22)

Ramon Carbó-Dorca. (2023) QSPR in molecular spaces: ordering data, {de- & re-} constructing molecular similarity matrices, building their isometric vectors defining statistical-like momenta of molecular polyhedra, and analyzing the structure of a quantum QSPR operator. Journal of Mathematical Chemistry.
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Ramon Carbó-Dorca. (2023) Quantum similarity and QSPR in Euclidean-, and Minkowskian–Banach spaces. Journal of Mathematical Chemistry 61:5, pages 1016-1035.
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Ramon Carbó-Dorca & Tanmoy Chakraborty. 2023. Chemical Reactivity. Chemical Reactivity 505 572 .
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Ramon Carbó‐Dorca & Luz Dary Mercado. (2010) Commentaries on quantum similarity (1): Density gradient quantum similarity. Journal of Computational Chemistry 31:11, pages 2195-2212.
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Ramon Carbó-Dorca & Ana Gallegos. 2009. Encyclopedia of Complexity and Systems Science. Encyclopedia of Complexity and Systems Science 7422 7480 .
A.M. Doweyko. 2007. Comprehensive Medicinal Chemistry II. Comprehensive Medicinal Chemistry II 575 595 .
Xavier Gironés & Ramon Carbó‐Dorca. (2006) Modelling Toxicity using Molecular Quantum Similarity Measures. QSAR & Combinatorial Science 25:7, pages 579-589.
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Xavier Gironés & Robert Ponec. (2006) Molecular Quantum Similarity Measures from Fermi Hole Densities:  Modeling Hammett Sigma Constants. Journal of Chemical Information and Modeling 46:3, pages 1388-1393.
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Patrick Bultinck & Ramon Carbó-Dorca. (2005) Molecular quantum similarity using conceptual DFT descriptors. Journal of Chemical Sciences 117:5, pages 425-435.
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Ana Gallegos Saliner & Xavier Gironés. (2005) Topological quantum similarity measures: applications in QSAR. Journal of Molecular Structure: THEOCHEM 727:1-3, pages 97-106.
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Ramon Carbó-Dorca. 2005. Advances in Quantum Chemistry Volume 49. Advances in Quantum Chemistry Volume 49 121 207 .
Ramon Carbo´ -Dorca & Xavier Girone´ S. 2003. Computational Medicinal Chemistry for Drug Discovery. Computational Medicinal Chemistry for Drug Discovery.
Xavier Gironés & Ramon Carbó-Dorca. (2002) Molecular Quantum Similarity-Based QSARs for Binding Affinities of Several Steroid Sets. Journal of Chemical Information and Computer Sciences 42:5, pages 1185-1193.
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Xavier Gironés & Ramon Carbó-Dorca. (2002) Using Molecular Quantum Similarity Measures under Stochastic Transformation To Describe Physical Properties of Molecular Systems. Journal of Chemical Information and Computer Sciences 42:2, pages 317-325.
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Ramon Carbó‐Dorca & Emili Besalú. (2002) Fundamental quantum QSAR (Q 2 SAR) equation: extensions, nonlinear terms, and generalizations within extended Hilbert–Sobolev spaces . International Journal of Quantum Chemistry 88:1, pages 167-182.
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R. Carbó-Dorca. (2001) Inward matrix products: extensions and applications to quantum mechanical foundations of QSAR. Journal of Molecular Structure: THEOCHEM 537:1-3, pages 41-54.
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Xavier Gironés, Ana Gallegos & Ramon Carbó-Dorca. (2000) Modeling Antimalarial Activity:  Application of Kinetic Energy Density Quantum Similarity Measures as Descriptors in QSAR. Journal of Chemical Information and Computer Sciences 40:6, pages 1400-1407.
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R. Carbó-Dorca, L. Amat, E. Besalú, X. Gironés & D. Robert. (2000) Quantum mechanical origin of QSAR: theory and applications. Journal of Molecular Structure: THEOCHEM 504:1-3, pages 181-228.
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David Robert, Llu�s Amat & Ramon Carb�-Dorca. (2000) Quantum similarity QSAR: Study of inhibitors binding to thrombin, trypsin, and factor Xa, including a comparison with CoMFA and CoMSIA methods. International Journal of Quantum Chemistry 80:3, pages 265-282.
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Ramon Carb�-Dorca. (2000) Stochastic transformation of quantum similarity matrices and their use in quantum QSAR (QQSAR) models. International Journal of Quantum Chemistry 79:3, pages 163-177.
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