Ramon Carbó-Dorca

Ramon Carbó

2009
41	EE	Albert Poater, Ana Gallegos Saliner, Ramon Carbó-Dorca, Jordi Poater, Miquel Solà, Luigi Cavallo, Andrew P. Worth: Modeling the structure-property relationships of nanoneedles: A journey toward nanomedicine. Journal of Computational Chemistry 30(2): 275-284 (2009)
40	EE	Ramon Carbó-Dorca, Ana Gallegos, Ángel J. Sánchez: Notes on quantitative structure-properties relationships (QSPR) (1): A discussion on a QSPR dimensionality paradox (QSPR DP) and its quantum resolution. Journal of Computational Chemistry 30(7): 1146-1159 (2009)
2007
39	EE	Patrick Bultinck, Robert Ponec, Ramon Carbó-Dorca: Aromaticity in linear polyacenes: Generalized population analysis and molecular quantum similarity approach. Journal of Computational Chemistry 28(1): 152-160 (2007)
2006
38	EE	Joaquim Chaves Martinez, Joan M. Barroso, Patrick Bultinck, Ramon Carbó-Dorca: Toward an Alternative Hardness Kernel Matrix Structure in the Electronegativity Equalization Method (EEM). Journal of Chemical Information and Modeling 46(4): 1657-1665 (2006)
37	EE	Noel Ferro, Ana Gallegos, Patrick Bultinck, Hans-Jörg Jacobsen, Ramon Carbó-Dorca, Thomas Reinard: Coulomb and Overlap Self-Similarities: A Comparative Selectivity Analysis of Structure-Function Relationships for Auxin-like Molecules. Journal of Chemical Information and Modeling 46(4): 1751-1762 (2006)
2005
36	EE	Ana Gallegos, Ramon Carbó-Dorca, François Lodier, Eric Cancès, Andreas Savin: Maximal probability domains in linear molecules. Journal of Computational Chemistry 26(5): 455-460 (2005)
2004
35	EE	Xavier Gironés, Ramon Carbó-Dorca: TGSA-Flex: Extending the capabilities of the Topo-Geometrical superposition algorithm to handle flexible molecules. Journal of Computational Chemistry 25(2): 153-159 (2004)
2003
34	EE	Patrick Bultinck, Ramon Carbó-Dorca: Molecular Quantum Similarity Matrix Based Clustering of Molecules Using Dendrograms. Journal of Chemical Information and Computer Sciences 43(1): 170-177 (2003)
33	EE	Patrick Bultinck, Wilfried Langenaeker, Ramon Carbó-Dorca, Jan P. Tollenaere: Fast Calculation of Quantum Chemical Molecular Descriptors from the Electronegativity Equalization Method. Journal of Chemical Information and Computer Sciences 43(2): 422-428 (2003)
32	EE	Patrick Bultinck, Tom Kuppens, Xavier Gironés, Ramon Carbó-Dorca: Quantum Similarity Superposition Algorithm (QSSA): A Consistent Scheme for Molecular Alignment and Molecular Similarity Based on Quantum Chemistry. Journal of Chemical Information and Computer Sciences 43(4): 1143-1150 (2003)
31	EE	Ana Gallegos Saliner, Lluís Amat, Ramon Carbó-Dorca, T. Wayne Schultz, Mark T. D. Cronin: Molecular Quantum Similarity Analysis of Estrogenic Activity. Journal of Chemical Information and Computer Sciences 43(4): 1166-1176 (2003)
30	EE	Patrick Bultinck, Ramon Carbó-Dorca, Christian Van Alsenoy: Quality of Approximate Electron Densities and Internal Consistency of Molecular Alignment Algorithms in Molecular Quantum Similarity. Journal of Chemical Information and Computer Sciences 43(4): 1208-1217 (2003)
29	EE	Xavier Gironés, Ramon Carbó-Dorca: Molecular Quantum Similarity-Based QSARs for Binding Affinities of Several Steroid Sets J. Chem. Inf. Comput. Sci. 42, 1185-1193 (2002) Journal of Chemical Information and Computer Sciences 43(4): 1335-1336 (2003)
28	EE	Xavier Gironés, Ramon Carbó-Dorca, Robert Ponec: Molecular Basis of LFER. Modeling of the Electronic Substituent Effect Using Fragment Quantum Self-Similarity Measures. Journal of Chemical Information and Computer Sciences 43(6): 2033-2038 (2003)
27	EE	Robert Ponec, Gleb Yuzhakov, Ramon Carbó-Dorca: Chemical structures from the analysis of domain-averaged Fermi holes: Multiple metalmetal bonding in transition metal compounds. Journal of Computational Chemistry 24(15): 1829-1838 (2003)
2002
26	EE	Xavier Gironés, Ramon Carbó-Dorca: Using Molecular Quantum Similarity Measures under Stochastic Transformation To Describe Physical Properties of Molecular Systems. Journal of Chemical Information and Computer Sciences 42(2): 317-325 (2002)
25	EE	Robert Ponec, Xavier Gironés, Ramon Carbó-Dorca: Molecular Basis of Linear Free Energy Relationships. The Nature of Inductive Effect in Aliphatic Series. Journal of Chemical Information and Computer Sciences 42(3): 564-570 (2002)
24	EE	Xavier Gironés, Lluís Amat, Ramon Carbó-Dorca: Modeling Large Macromolecular Structures Using Promolecular Densities. Journal of Chemical Information and Computer Sciences 42(4): 847-852 (2002)
23	EE	Xavier Gironés, Ramon Carbó-Dorca: Molecular Quantum Similarity-Based QSARs for Binding Affinities of Several Steroid Sets. Journal of Chemical Information and Computer Sciences 42(5): 1185-1193 (2002)
2001
22	EE	Lluís Amat, Emili Besalú, Ramon Carbó-Dorca, Robert Ponec: Identification of Active Molecular Sites Using Quantum-Self-Similarity Measures. Journal of Chemical Information and Computer Sciences 41(4): 978-991 (2001)
21	EE	Xavier Gironés, David Robert, Ramon Carbó-Dorca: TGSA: A molecular superposition program based on topo-geometrical considerations. Journal of Computational Chemistry 22(2): 255-263 (2001)
20	EE	Ana Gallegos Saliner, David Robert, Xavier Gironés, Ramon Carbó-Dorca: Structure-toxicity relationships of polycyclic aromatic hydrocarbons using molecular quantum similarity. Journal of Computer-Aided Molecular Design 15(1): 67-80 (2001)
19	EE	Xavier Gironés, Ana Gallegos Saliner, Ramon Carbó-Dorca: Antimalarial activity of synthetic 1, 2, 4-trioxanes and cyclic peroxy ketals, a quantum similarity study. Journal of Computer-Aided Molecular Design 15(12): 1053-1063 (2001)
2000
18	EE	David Robert, Xavier Gironés, Ramon Carbó-Dorca: Quantification of the Influence of Single-Point Mutations on Haloalkane Dehalogenase Activity: A Molecular Quantum Similarity Study. Journal of Chemical Information and Computer Sciences 40(3): 839-846 (2000)
17	EE	Lluís Amat, Ramon Carbó-Dorca: Molecular Electronic Density Fitting Using Elementary Jacobi Rotations under Atomic Shell Approximation. Journal of Chemical Information and Computer Sciences 40(5): 1188-1198 (2000)
16	EE	Xavier Gironés, Ana Gallegos Saliner, Ramon Carbó-Dorca: Modeling Antimalarial Activity: Application of Kinetic Energy Density Quantum Similarity Measures as Descriptors in QSAR. Journal of Chemical Information and Computer Sciences 40(6): 1400-1407 (2000)
15	EE	Xavier Gironés, Lluís Amat, David Robert, Ramon Carbó-Dorca: Use of electron-electron repulsion energy as a molecular descriptor in QSAR and QSPR studies. Journal of Computer-Aided Molecular Design 14(5): 477-485 (2000)
1999
14	EE	David Robert, Lluís Amat, Ramon Carbó-Dorca: 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 39(2): 333-344 (1999)
13	EE	Lluís Amat, Ramon Carbó-Dorca: 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 20(9): 911-920 (1999)
12	EE	Robert Ponec, Lluís Amat, Ramon Carbó-Dorca: Molecular basis of quantitative structure-properties relationships (QSPR): A quantum similarity approach. Journal of Computer-Aided Molecular Design 13(3): 259-270 (1999)
11	EE	David Robert, Xavier Gironés, Ramon Carbó-Dorca: Facet diagrams for quantum similarity data. Journal of Computer-Aided Molecular Design 13(6): 597-610 (1999)
1998
10	EE	David Robert, Ramon Carbó-Dorca: A Formal Comparison between Molecular Quantum Similarity Measures and Indices. Journal of Chemical Information and Computer Sciences 38(3): 469-475 (1998)
9	EE	David Robert, Ramon Carbó-Dorca: Analyzing the Triple Density Molecular Quantum Similarity Measures with the INDSCAL Model. Journal of Chemical Information and Computer Sciences 38(4): 620-623 (1998)
8	EE	Lluís Amat, David Robert, Emili Besalú, Ramon Carbó-Dorca: Molecular Quantum Similarity Measures Tuned 3D QSAR: An Antitumoral Family Validation Study. Journal of Chemical Information and Computer Sciences 38(4): 624-631 (1998)
7	EE	Lluís Amat, Ramon Carbó-Dorca, Robert Ponec: Molecular quantum similarity measures as an alternative to log P values in QSAR studies. Journal of Computational Chemistry 19(14): 1575-1583 (1998)
1997
6	EE	Pere Constans, Lluís Amat, Ramon Carbó-Dorca: Toward a global maximization of the molecular similarity function: Superposition of two molecules. Journal of Computational Chemistry 18(6): 826-846 (1997)
1995
5		Pere Constans, Ramon Carbó: Atomic Shell Approximation: Electron Density Fitting Algorithm Restricting Coefficients to Positive Values. Journal of Chemical Information and Computer Sciences 35(6): 1046-1053 (1995)
1994
4	EE	Ramon Carbó, Emili Besalú: Definition, Mathematical Examples and Quantum Chemical Applications of Nested Summation Symbols and Logical Kronecker Deltas. Computers & Chemistry 18(2): 117-126 (1994)
3	EE	Miquel Solà, Jordi Mestres, Miquel Duran, Ramon Carbó: Ab Initio Quantum Molecular Similarity Measures on Metal-Substituted Carbonic Anhydrase (MIICA, M = Be, Mg, Mn, Co, Ni, Cu, Zn, and Cd). Journal of Chemical Information and Computer Sciences 34(5): 1047-1053 (1994)
2		Jordi Mestres, Miquel Solà, Miquel Duran, Ramon Carbó: On the Calculation of Ab Initio Quantum Molecular Similarities for Large Systems: Fitting the Electron Density. Journal of Computational Chemistry 15(10): 1113-1120 (1994)
1992
1	EE	Ramon Carbó, Blanca Calabuig: Quantum similarity measures, molecular cloud description, and structure-properties relationships. Journal of Chemical Information and Computer Sciences 32(6): 600-606 (1992)

Coauthor Index

1	Christian Van Alsenoy	[30]
2	Lluís Amat	[6] [7] [8] [12] [13] [14] [15] [17] [22] [24] [31]
3	Joan M. Barroso	[38]
4	Emili Besalú	[4] [8] [22]
5	Patrick Bultinck	[30] [32] [33] [34] [37] [38] [39]
6	Blanca Calabuig	[1]
7	Eric Cancès	[36]
8	Luigi Cavallo	[41]
9	Pere Constans	[5] [6]
10	Mark T. D. Cronin	[31]
11	Miquel Duran	[2] [3]
12	Noel Ferro	[37]
13	Xavier Gironés	[11] [15] [16] [18] [19] [20] [21] [23] [24] [25] [26] [28] [29] [32] [35]
14	Hans-Jörg Jacobsen	[37]
15	Tom Kuppens	[32]
16	Wilfried Langenaeker	[33]
17	François Lodier	[36]
18	Joaquim Chaves Martinez	[38]
19	Jordi Mestres	[2] [3]
20	Albert Poater	[41]
21	Jordi Poater	[41]
22	Robert Ponec	[7] [12] [22] [25] [27] [28] [39]
23	Thomas Reinard	[37]
24	David Robert	[8] [9] [10] [11] [14] [15] [18] [20] [21]
25	Ana Gallegos Saliner (Ana Gallegos)	[16] [19] [20] [31] [36] [37] [40] [41]
26	Ángel J. Sánchez	[40]
27	Andreas Savin	[36]
28	T. Wayne Schultz	[31]
29	Miquel Solà	[2] [3] [41]
30	Jan P. Tollenaere	[33]
31	Andrew P. Worth	[41]
32	Gleb Yuzhakov	[27]

Colors in the list of coauthors