Ramon Carbó-Dorca

Publication Activity (10 Years)

Years Active: 1997-2021
Publications (10 Years): 7

Top Topics

Arbitrary Dimension

Krawtchouk Moments

Representation Scheme

Top Venues

J. Comput. Chem.

J. Supercomput.

Publications

Alfonso Niño, Sebastián Reyes, Ramon Carbó-Dorca
An HPC hybrid parallel approach to the experimental analysis of Fermat's theorem extension to arbitrary dimensions on heterogeneous computer systems. J. Supercomput. 77 (10) (2021)
Ramon Carbó-Dorca, Tanmoy Chakraborty
Divagations about the periodic table: Boolean hypercube and quantum similarity connections. J. Comput. Chem. 40 (30) (2019)
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
Nine questions on energy decomposition analysis. J. Comput. Chem. 40 (26) (2019)
Ramon Carbó-Dorca
"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. 40 (21) (2019)
Satrya Fajri Pratama, Azah Kamilah Muda, Yun-Huoy Choo, Ramon Carbó-Dorca, Ajith Abraham
Using 3D Hahn Moments as A Computational Representation of ATS Drugs Molecular Structure. SoCPaR (2019)
Satrya Fajri Pratama, Azah Kamilah Muda, Yun-Huoy Choo, Ramon Carbó-Dorca, Ajith Abraham
Using 3D Hahn Moments as A Computational Representation of ATS Drugs Molecular Structure. CoRR (2018)
Ramon Carbó-Dorca
Aromaticity, quantum multimolecular polyhedra, and quantum QSPR fundamental equation. J. Comput. Chem. 37 (1) (2016)
Ramon Carbó-Dorca
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. 34 (9) (2013)
Ramon Carbó-Dorca, Emili Besalú, Luz Dary Mercado
Communications on quantum similarity, part 3: A geometric-quantum similarity molecular superposition algorithm. J. Comput. Chem. 32 (4) (2011)
Ramon Carbó-Dorca, Luz Dary Mercado
Commentaries on quantum similarity (1): Density gradient quantum similarity. J. Comput. Chem. 31 (11) (2010)
Ramon Carbó-Dorca, Emili Besalú
Communications on quantum similarity (2): A geometric discussion on holographic electron density theorem and confined quantum similarity measures. J. Comput. Chem. 31 (13) (2010)
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. J. Comput. Chem. 30 (7) (2009)
Ramon Carbó-Dorca, Ana Gallegos Saliner
Notes on quantitative structure-properties relationships (QSPR) part 2: The role of the number of atoms as a molecular descriptor. J. Comput. Chem. 30 (13) (2009)
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. J. Comput. Chem. 30 (2) (2009)
Patrick Bultinck, Robert Ponec, Ramon Carbó-Dorca
Aromaticity in linear polyacenes: Generalized population analysis and molecular quantum similarity approach. J. Comput. Chem. 28 (1) (2007)
Joaquim Chaves Martinez, Joan M. Barroso, Patrick Bultinck, Ramon Carbó-Dorca
Toward an Alternative Hardness Kernel Matrix Structure in the Electronegativity Equalization Method (EEM). J. Chem. Inf. Model. 46 (4) (2006)
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. J. Chem. Inf. Model. 46 (4) (2006)
Ana Gallegos, Ramon Carbó-Dorca, François Lodier, Eric Cancès, Andreas Savin
Maximal probability domains in linear molecules. J. Comput. Chem. 26 (5) (2005)
Xavier Gironés, Ramon Carbó-Dorca
TGSA-Flex: Extending the capabilities of the Topo-Geometrical superposition algorithm to handle flexible molecules. J. Comput. Chem. 25 (2) (2004)
Xavier Gironés, Ramon Carbó-Dorca, Robert Ponec
Molecular Basis of LFER. Modeling of the Electronic Substituent Effect Using Fragment Quantum Self-Similarity Measures. J. Chem. Inf. Comput. Sci. 43 (6) (2003)
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) J. Chem. Inf. Comput. Sci. 43 (4) (2003)
Ana Gallegos Saliner, Lluís Amat, Ramon Carbó-Dorca, T. Wayne Schultz, Mark T. D. Cronin
Molecular Quantum Similarity Analysis of Estrogenic Activity. J. Chem. Inf. Comput. Sci. 43 (4) (2003)
Robert Ponec, Gleb Yuzhakov, Ramon Carbó-Dorca
Chemical structures from the analysis of domain-averaged Fermi holes: Multiple metalmetal bonding in transition metal compounds. J. Comput. Chem. 24 (15) (2003)
Patrick Bultinck, Ramon Carbó-Dorca
Molecular Quantum Similarity Matrix Based Clustering of Molecules Using Dendrograms. J. Chem. Inf. Comput. Sci. 43 (1) (2003)
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. J. Chem. Inf. Comput. Sci. 43 (4) (2003)
Patrick Bultinck, Wilfried Langenaeker, Ramon Carbó-Dorca, Jan P. Tollenaere
Fast Calculation of Quantum Chemical Molecular Descriptors from the Electronegativity Equalization Method. J. Chem. Inf. Comput. Sci. 43 (2) (2003)
Patrick Bultinck, Ramon Carbó-Dorca, Christian Van Alsenoy
Quality of Approximate Electron Densities and Internal Consistency of Molecular Alignment Algorithms in Molecular Quantum Similarity. J. Chem. Inf. Comput. Sci. 43 (4) (2003)
Robert Ponec, Xavier Gironés, Ramon Carbó-Dorca
Molecular Basis of Linear Free Energy Relationships. The Nature of Inductive Effect in Aliphatic Series. J. Chem. Inf. Comput. Sci. 42 (3) (2002)
Xavier Gironés, Ramon Carbó-Dorca
Molecular Quantum Similarity-Based QSARs for Binding Affinities of Several Steroid Sets. J. Chem. Inf. Comput. Sci. 42 (5) (2002)
Xavier Gironés, Lluís Amat, Ramon Carbó-Dorca
Modeling Large Macromolecular Structures Using Promolecular Densities. J. Chem. Inf. Comput. Sci. 42 (4) (2002)
Xavier Gironés, Ramon Carbó-Dorca
Using Molecular Quantum Similarity Measures under Stochastic Transformation To Describe Physical Properties of Molecular Systems. J. Chem. Inf. Comput. Sci. 42 (2) (2002)
Xavier Gironés, David Robert, Ramon Carbó-Dorca
TGSA: A molecular superposition program based on topo-geometrical considerations. J. Comput. Chem. 22 (2) (2001)
Ana Gallegos Saliner, David Robert, Xavier Gironés, Ramon Carbó-Dorca
Structure-toxicity relationships of polycyclic aromatic hydrocarbons using molecular quantum similarity. J. Comput. Aided Mol. Des. 15 (1) (2001)
Xavier Gironés, Ana Gallegos Saliner, Ramon Carbó-Dorca
Antimalarial activity of synthetic 1, 2, 4-trioxanes and cyclic peroxy ketals, a quantum similarity study. J. Comput. Aided Mol. Des. 15 (12) (2001)
Lluís Amat, Emili Besalú, Ramon Carbó-Dorca, Robert Ponec
Identification of Active Molecular Sites Using Quantum-Self-Similarity Measures. J. Chem. Inf. Comput. Sci. 41 (4) (2001)
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. 40 (3) (2000)
Lluís Amat, Ramon Carbó-Dorca
Molecular Electronic Density Fitting Using Elementary Jacobi Rotations under Atomic Shell Approximation. J. Chem. Inf. Comput. Sci. 40 (5) (2000)
Xavier Gironés, Ana Gallegos Saliner, Ramon Carbó-Dorca
Modeling Antimalarial Activity: Application of Kinetic Energy Density Quantum Similarity Measures as Descriptors in QSAR. J. Chem. Inf. Comput. Sci. 40 (6) (2000)
Xavier Gironés, Lluís Amat, David Robert, Ramon Carbó-Dorca
Use of electron-electron repulsion energy as a molecular descriptor in QSAR and QSPR studies. J. Comput. Aided Mol. Des. 14 (5) (2000)
David Robert, Xavier Gironés, Ramon Carbó-Dorca
Facet diagrams for quantum similarity data. J. Comput. Aided Mol. Des. 13 (6) (1999)
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. J. Chem. Inf. Comput. Sci. 39 (2) (1999)
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. J. Comput. Chem. 20 (9) (1999)
Robert Ponec, Lluís Amat, Ramon Carbó-Dorca
Molecular basis of quantitative structure-properties relationships (QSPR): A quantum similarity approach. J. Comput. Aided Mol. Des. 13 (3) (1999)
Lluís Amat, David Robert, Emili Besalú, Ramon Carbó-Dorca
Molecular Quantum Similarity Measures Tuned 3D QSAR: An Antitumoral Family Validation Study. J. Chem. Inf. Comput. Sci. 38 (4) (1998)
David Robert, Ramon Carbó-Dorca
A Formal Comparison between Molecular Quantum Similarity Measures and Indices. J. Chem. Inf. Comput. Sci. 38 (3) (1998)
David Robert, Ramon Carbó-Dorca
Analyzing the Triple Density Molecular Quantum Similarity Measures with the INDSCAL Model. J. Chem. Inf. Comput. Sci. 38 (4) (1998)
Lluís Amat, Ramon Carbó-Dorca, Robert Ponec
Molecular quantum similarity measures as an alternative to log P values in QSAR studies. J. Comput. Chem. 19 (14) (1998)
Pere Constans, Lluís Amat, Ramon Carbó-Dorca
Toward a global maximization of the molecular similarity function: Superposition of two molecules. J. Comput. Chem. 18 (6) (1997)