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Results: 161

R. Carbó-Dorca
Inward matrix products: extensions and applications to quantum mechanical foundations of QSAR
Journal of Molecular Structure: THEOCHEM, 2001, 537
, 41-54
DOI: 10.1016/S0166-1280(00)00661-8
Keywords: Molecular similarity

Boris N. Plakhutin, Ramon Carbó-Dorca
Erratum to “Icosahedral symmetry structures with open-shell electronic configuration h (N=1–9)”
Physics Letters A, 2001, 279, 102-103
DOI: 10.1016/S0375-9601(00)00788-X
Keywords: Molecular similarity

David Robert, Xavier Gironés, Ramon Carbó-Dorca
Molecular Quantum Similarity Measures as Descriptors for Quantum QSAR
Polycyclic Aromatic Compounds, 2001, 19, 51-71
DOI: 10.1080/10406630008034722
Keywords: Molecular similarity

Xavier Gironés, Ana Gallegos, Ramon Carbó-Dorca
Advances in Quantum Chemistry
Adv Quantum Chem, 2000, 38, 1-63
DOI: 10.1016/S0065-3276(00)38002-9
Keywords: Molecular similarity

Ramon Carbó-Dorca
Stochastic transformation of quantum similarity matrices and their use in quantum QSAR (QQSAR) models
Int. J. Quantum Chem., 2000, 79, 163-177
DOI: 10.1002/1097-461X(2000)79:3<163::AID-QUA2>3.0.CO;2-0
Keywords: Molecular similarity

David Robert, Lluís Amat, Ramon Carbó‐Dorca
Quantum similarity QSAR: Study of inhibitors binding to thrombin, trypsin, and factor Xa, including a comparison with CoMFA and CoMSIA methods
Int. J. Quantum Chem., 2000, 80, 265-282
DOI: 10.1002/1097-461X(2000)80:3<265::AID-QUA1>3.0.CO;2-K
Keywords: Molecular similarity

David Robert, Ramon Carbó-Dorca
General Trends in Atomic and Nuclear Quantum Similarity Measures
Int. J. Quantum Chem., 2000, 77, 685-692
DOI: 10.1002/(SICI)1097-461X(2000)77:3<685::AID-QUA8>3.0.CO;2-2
Keywords: Molecular similarity

Lluís Amat, Ramon Carbó-Dorca
Molecular Electronic Density Fitting Using Elementary Jacobi Rotations under Atomic Shell Approximation
J. Chem. Inf. Comput. Sci., 2000, 40, 1188-1198
DOI: 10.1021/ci0000272
Keywords: Molecular similarity

Xavier Gironés, Ana Gallegos, Ramon Carbó-Dorca
Modeling Antimalarial Activity:  Application of Kinetic Energy Density Quantum Similarity Measures as Descriptors in QSAR
J. Chem. Inf. Comput. Sci., 2000, 40, 1400-1407
DOI: 10.1021/ci0004558
Keywords: Molecular similarity

David Robert, Xavier Gironés, Ramon Carbó-Dorca
Quantification of the Influence of Single-Point Mutations on Haloalkane Dehalogenase Activity:  A Molecular Quantum Similarity Study
J. Chem. Inf. Comput. Sci., 2000, 40, 839-846
DOI: 10.1021/ci9903408
Keywords: Molecular similarity