Results: 173
Xavier Gironés, David Robert, Ramon Carbó-Dorca
TGSA: A Molecular Superposition Program Based on Topo-Geometrical Considerations
J. Math. Chem., 2001, 22, 255-263
DOI: 10.1002/1096-987X(20010130)22:2<255::AID-JCC12>3.0.CO;2-2Keywords: Molecular similarity
X. Gironés, R. Carbó-Dorca, P.G. Mezey
Application of promolecular asa densities to graphical representation of density functions of macromolecular systems
Journal of Molecular Graphics and Modelling, 2001, 19, 343-348
DOI: 10.1016/S1093-3263(00)00083-8Keywords: Molecular similarity
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)00661-8Keywords: 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-XKeywords: 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: 10.1080/10406630008034722Keywords: 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)38002-9Keywords: 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;2-0Keywords: 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-KKeywords: 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;2-2Keywords: 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/ci0000272Keywords: Molecular similarity