Ramon Carbó-Dorca

49 papers Journal 47Unranked 1

Year	Rank	Type	Title / Venue / Authors
2021	J	`jnl`	An HPC hybrid parallel approach to the experimental analysis of Fermat's theorem extension to arbitrary dimensions on heterogeneous computer systems. J. Supercomput. Alfonso Niño, Sebastián Reyes, Ramon Carbó-Dorca
2019	J	`jnl`	"Solved and unsolved problems of structural chemistry" by Milan Randić, Marjana Novič, and Dejan Plavšić CRC Press, Boca Raton, 2016, XX+472 pp. ISBN 13-978-1-4987-1151-7. J. Comput. Chem. Ramon Carbó-Dorca
2019	J	`jnl`	Divagations about the periodic table: Boolean hypercube and quantum similarity connections. J. Comput. Chem. Ramon Carbó-Dorca, Tanmoy Chakraborty
2019	J	`jnl`	Nine questions on energy decomposition analysis. J. Comput. Chem. Juan Andrés, Paul W. Ayers, Roberto Álvarez Boto, Ramon Carbó-Dorca, Henry Chermette, Jerzy Cioslowski, Julia Contreras-Garcia, David L. Cooper, Gernot Frenking, Carlo Gatti, Farnaz Heidar-Zadeh, Laurent Joubert, Ángel Martín Pendás, Eduard Matito, István Mayer, Alston J. Misquitta, Yirong Mo, Julien Pilmé, Paul L. A. Popelier, Martin Rahm, Eloy Ramos-Cordoba, Pedro Salvador, W. H. Eugen Schwarz, Shant Shahbazian, Bernard Silvi, Miquel Solà, Krzysztof Szalewicz, Vincent Tognetti, Frank Weinhold, Émilie-Laure Zins
2019	—	`conf`	Using 3D Hahn Moments as A Computational Representation of ATS Drugs Molecular Structure. SoCPaR Satrya Fajri Pratama, Azah Kamilah Muda, Yun-Huoy Choo, Ramon Carbó-Dorca, Ajith Abraham
2018	J	`jnl`	Using 3D Hahn Moments as A Computational Representation of ATS Drugs Molecular Structure. CoRR Satrya Fajri Pratama, Azah Kamilah Muda, Yun-Huoy Choo, Ramon Carbó-Dorca, Ajith Abraham
2016	J	`jnl`	Aromaticity, quantum multimolecular polyhedra, and quantum QSPR fundamental equation. J. Comput. Chem. Ramon Carbó-Dorca
2013	J	`jnl`	Notes on quantitative structure-property relationships (QSPR), part 3: Density functions origin shift as a source of quantum QSPR algorithms in molecular spaces. J. Comput. Chem. Ramon Carbó-Dorca
2011	J	`jnl`	Communications on quantum similarity, part 3: A geometric-quantum similarity molecular superposition algorithm. J. Comput. Chem. Ramon Carbó-Dorca, Emili Besalú, Luz Dary Mercado
2010	J	`jnl`	Commentaries on quantum similarity (1): Density gradient quantum similarity. J. Comput. Chem. Ramon Carbó-Dorca, Luz Dary Mercado
2010	J	`jnl`	Communications on quantum similarity (2): A geometric discussion on holographic electron density theorem and confined quantum similarity measures. J. Comput. Chem. Ramon Carbó-Dorca, Emili Besalú
2009	J	`jnl`	Modeling the structure-property relationships of nanoneedles: A journey toward nanomedicine. J. Comput. Chem. Albert Poater, Ana Gallegos Saliner, Ramon Carbó-Dorca, Jordi Poater, Miquel Solà, Luigi Cavallo, Andrew P. Worth
2009	J	`jnl`	Notes on quantitative structure-properties relationships (QSPR) (1): A discussion on a QSPR dimensionality paradox (QSPR DP) and its quantum resolution. J. Comput. Chem. Ramon Carbó-Dorca, Ana Gallegos, Ángel J. Sánchez
2009	J	`jnl`	Notes on quantitative structure-properties relationships (QSPR) part 2: The role of the number of atoms as a molecular descriptor. J. Comput. Chem. Ramon Carbó-Dorca, Ana Gallegos Saliner
2009	—	`ch.`	Quantum Similarity and Quantum Quantitative Structure-Properties Relationships (QQSPR). Encyclopedia of Complexity and Systems Science Ramon Carbó-Dorca, Ana Gallegos
2007	J	`jnl`	Aromaticity in linear polyacenes: Generalized population analysis and molecular quantum similarity approach. J. Comput. Chem. Patrick Bultinck, Robert Ponec, Ramon Carbó-Dorca
2006	J	`jnl`	Coulomb and Overlap Self-Similarities: A Comparative Selectivity Analysis of Structure-Function Relationships for Auxin-like Molecules. J. Chem. Inf. Model. Noel Ferro, Ana Gallegos, Patrick Bultinck, Hans-Jörg Jacobsen, Ramon Carbó-Dorca, Thomas Reinard
2006	J	`jnl`	Toward an Alternative Hardness Kernel Matrix Structure in the Electronegativity Equalization Method (EEM). J. Chem. Inf. Model. Joaquim Chaves Martinez, Joan M. Barroso, Patrick Bultinck, Ramon Carbó-Dorca
2005	J	`jnl`	Maximal probability domains in linear molecules. J. Comput. Chem. Ana Gallegos, Ramon Carbó-Dorca, François Lodier, Eric Cancès, Andreas Savin
2004	J	`jnl`	TGSA-Flex: Extending the capabilities of the Topo-Geometrical superposition algorithm to handle flexible molecules. J. Comput. Chem. Xavier Gironés, Ramon Carbó-Dorca
2003	J	`jnl`	Chemical structures from the analysis of domain-averaged Fermi holes: Multiple metalmetal bonding in transition metal compounds. J. Comput. Chem. Robert Ponec, Gleb Yuzhakov, Ramon Carbó-Dorca
2003	J	`jnl`	Fast Calculation of Quantum Chemical Molecular Descriptors from the Electronegativity Equalization Method. J. Chem. Inf. Comput. Sci. Patrick Bultinck, Wilfried Langenaeker, Ramon Carbó-Dorca, Jan P. Tollenaere
2003	J	`jnl`	Molecular Basis of LFER. Modeling of the Electronic Substituent Effect Using Fragment Quantum Self-Similarity Measures. J. Chem. Inf. Comput. Sci. Xavier Gironés, Ramon Carbó-Dorca, Robert Ponec
2003	J	`jnl`	Molecular Quantum Similarity Analysis of Estrogenic Activity. J. Chem. Inf. Comput. Sci. Ana Gallegos Saliner, Lluís Amat, Ramon Carbó-Dorca, T. Wayne Schultz, Mark T. D. Cronin
2003	J	`jnl`	Molecular Quantum Similarity Matrix Based Clustering of Molecules Using Dendrograms. J. Chem. Inf. Comput. Sci. Patrick Bultinck, Ramon Carbó-Dorca
2003	J	`jnl`	Molecular Quantum Similarity-Based QSARs for Binding Affinities of Several Steroid Sets J. Chem. Inf. Comput. Sci. 42, 1185-1193 (2002) J. Chem. Inf. Comput. Sci. Xavier Gironés, Ramon Carbó-Dorca
2003	J	`jnl`	Quality of Approximate Electron Densities and Internal Consistency of Molecular Alignment Algorithms in Molecular Quantum Similarity. J. Chem. Inf. Comput. Sci. Patrick Bultinck, Ramon Carbó-Dorca, Christian Van Alsenoy
2003	J	`jnl`	Quantum Similarity Superposition Algorithm (QSSA): A Consistent Scheme for Molecular Alignment and Molecular Similarity Based on Quantum Chemistry. J. Chem. Inf. Comput. Sci. Patrick Bultinck, Tom Kuppens, Xavier Gironés, Ramon Carbó-Dorca
2002	J	`jnl`	Modeling Large Macromolecular Structures Using Promolecular Densities. J. Chem. Inf. Comput. Sci. Xavier Gironés, Lluís Amat, Ramon Carbó-Dorca
2002	J	`jnl`	Molecular Basis of Linear Free Energy Relationships. The Nature of Inductive Effect in Aliphatic Series. J. Chem. Inf. Comput. Sci. Robert Ponec, Xavier Gironés, Ramon Carbó-Dorca
2002	J	`jnl`	Molecular Quantum Similarity-Based QSARs for Binding Affinities of Several Steroid Sets. J. Chem. Inf. Comput. Sci. Xavier Gironés, Ramon Carbó-Dorca
2002	J	`jnl`	Using Molecular Quantum Similarity Measures under Stochastic Transformation To Describe Physical Properties of Molecular Systems. J. Chem. Inf. Comput. Sci. Xavier Gironés, Ramon Carbó-Dorca
2001	J	`jnl`	Antimalarial activity of synthetic 1, 2, 4-trioxanes and cyclic peroxy ketals, a quantum similarity study. J. Comput. Aided Mol. Des. Xavier Gironés, Ana Gallegos Saliner, Ramon Carbó-Dorca
2001	J	`jnl`	Identification of Active Molecular Sites Using Quantum-Self-Similarity Measures. J. Chem. Inf. Comput. Sci. Lluís Amat, Emili Besalú, Ramon Carbó-Dorca, Robert Ponec
2001	J	`jnl`	Structure-toxicity relationships of polycyclic aromatic hydrocarbons using molecular quantum similarity. J. Comput. Aided Mol. Des. Ana Gallegos Saliner, David Robert, Xavier Gironés, Ramon Carbó-Dorca
2001	J	`jnl`	TGSA: A molecular superposition program based on topo-geometrical considerations. J. Comput. Chem. Xavier Gironés, David Robert, Ramon Carbó-Dorca
2000	J	`jnl`	Modeling Antimalarial Activity: Application of Kinetic Energy Density Quantum Similarity Measures as Descriptors in QSAR. J. Chem. Inf. Comput. Sci. Xavier Gironés, Ana Gallegos Saliner, Ramon Carbó-Dorca
2000	J	`jnl`	Molecular Electronic Density Fitting Using Elementary Jacobi Rotations under Atomic Shell Approximation. J. Chem. Inf. Comput. Sci. Lluís Amat, Ramon Carbó-Dorca
2000	J	`jnl`	Quantification of the Influence of Single-Point Mutations on Haloalkane Dehalogenase Activity: A Molecular Quantum Similarity Study. J. Chem. Inf. Comput. Sci. David Robert, Xavier Gironés, Ramon Carbó-Dorca
2000	J	`jnl`	Use of electron-electron repulsion energy as a molecular descriptor in QSAR and QSPR studies. J. Comput. Aided Mol. Des. Xavier Gironés, Lluís Amat, David Robert, Ramon Carbó-Dorca
1999	J	`jnl`	Facet diagrams for quantum similarity data. J. Comput. Aided Mol. Des. David Robert, Xavier Gironés, Ramon Carbó-Dorca
1999	J	`jnl`	Fitted electronic density functions from H to Rn for use in quantum similarity measures: cis-diamminedichloroplatinum(II) complex as an application example. J. Comput. Chem. Lluís Amat, Ramon Carbó-Dorca
1999	J	`jnl`	Molecular basis of quantitative structure-properties relationships (QSPR): A quantum similarity approach. J. Comput. Aided Mol. Des. Robert Ponec, Lluís Amat, Ramon Carbó-Dorca
1999	J	`jnl`	Three-Dimensional Quantitative Structure-Activity Relationships from Tuned Molecular Quantum Similarity Measures: Prediction of the Corticosteroid-Binding Globulin Binding Affinity for a Steroid Family. J. Chem. Inf. Comput. Sci. David Robert, Lluís Amat, Ramon Carbó-Dorca
1998	J	`jnl`	A Formal Comparison between Molecular Quantum Similarity Measures and Indices. J. Chem. Inf. Comput. Sci. David Robert, Ramon Carbó-Dorca
1998	J	`jnl`	Analyzing the Triple Density Molecular Quantum Similarity Measures with the INDSCAL Model. J. Chem. Inf. Comput. Sci. David Robert, Ramon Carbó-Dorca
1998	J	`jnl`	Molecular Quantum Similarity Measures Tuned 3D QSAR: An Antitumoral Family Validation Study. J. Chem. Inf. Comput. Sci. Lluís Amat, David Robert, Emili Besalú, Ramon Carbó-Dorca
1998	J	`jnl`	Molecular quantum similarity measures as an alternative to log P values in QSAR studies. J. Comput. Chem. Lluís Amat, Ramon Carbó-Dorca, Robert Ponec
1997	J	`jnl`	Toward a global maximization of the molecular similarity function: Superposition of two molecules. J. Comput. Chem. Pere Constans, Lluís Amat, Ramon Carbó-Dorca