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ORCIDBibTeX records: Ramon Carbó-Dorca
@article{DBLP:journals/tjs/NinoRC21,
author = {Alfonso Ni{\~{n}}o and
Sebasti{\'{a}}n Reyes and
Ramon Carb{\'{o}}{-}Dorca},
title = {An {HPC} hybrid parallel approach to the experimental analysis of
Fermat's theorem extension to arbitrary dimensions on heterogeneous
computer systems},
journal = {J. Supercomput.},
volume = {77},
number = {10},
pages = {11328--11352},
year = {2021},
url = {https://doi.org/10.1007/s11227-021-03727-2},
doi = {10.1007/S11227-021-03727-2},
timestamp = {Thu, 23 Sep 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/tjs/NinoRC21.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Carbo-Dorca19,
author = {Ramon Carb{\'{o}}{-}Dorca},
title = {"Solved and unsolved problems of structural chemistry" by
Milan Randi{\'{c}}, Marjana Novi{\v{c}}, and Dejan Plav{\v{s}}i{\'{c}}
{CRC} Press, Boca Raton, 2016, {XX+472} pp. {ISBN} 13-978-1-4987-1151-7},
journal = {J. Comput. Chem.},
volume = {40},
number = {21},
pages = {1880},
year = {2019},
url = {https://doi.org/10.1002/jcc.25842},
doi = {10.1002/JCC.25842},
timestamp = {Tue, 16 Aug 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Carbo-Dorca19.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/AndresABCCCCCFG19,
author = {Juan Andr{\'{e}}s and
Paul W. Ayers and
Roberto {\'{A}}lvarez Boto and
Ramon Carb{\'{o}}{-}Dorca and
Henry Chermette and
Jerzy Cioslowski and
Julia Contreras{-}Garcia and
David L. Cooper and
Gernot Frenking and
Carlo Gatti and
Farnaz Heidar{-}Zadeh and
Laurent Joubert and
{\'{A}}ngel Mart{\'{\i}}n Pend{\'{a}}s and
Eduard Matito and
Istv{\'{a}}n Mayer and
Alston J. Misquitta and
Yirong Mo and
Julien Pilm{\'{e}} and
Paul L. A. Popelier and
Martin Rahm and
Eloy Ramos{-}Cordoba and
Pedro Salvador and
W. H. Eugen Schwarz and
Shant Shahbazian and
Bernard Silvi and
Miquel Sol{\`{a}} and
Krzysztof Szalewicz and
Vincent Tognetti and
Frank Weinhold and
{\'{E}}milie{-}Laure Zins},
title = {Nine questions on energy decomposition analysis},
journal = {J. Comput. Chem.},
volume = {40},
number = {26},
pages = {2248--2283},
year = {2019},
url = {https://doi.org/10.1002/jcc.26003},
doi = {10.1002/JCC.26003},
timestamp = {Sat, 30 Sep 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/AndresABCCCCCFG19.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Carbo-DorcaC19,
author = {Ramon Carb{\'{o}}{-}Dorca and
Tanmoy Chakraborty},
title = {Divagations about the periodic table: Boolean hypercube and quantum
similarity connections},
journal = {J. Comput. Chem.},
volume = {40},
number = {30},
pages = {2653--2663},
year = {2019},
url = {https://doi.org/10.1002/jcc.26044},
doi = {10.1002/JCC.26044},
timestamp = {Mon, 26 Oct 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcc/Carbo-DorcaC19.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/socpar/PratamaMCCA19,
author = {Satrya Fajri Pratama and
Azah Kamilah Muda and
Yun{-}Huoy Choo and
Ramon Carb{\'{o}}{-}Dorca and
Ajith Abraham},
editor = {Ajith Abraham and
M. Akhil Jabbar and
Sanju Tiwari and
Isabel M. S. Jesus},
title = {Using 3D Hahn Moments as {A} Computational Representation of {ATS}
Drugs Molecular Structure},
booktitle = {Proceedings of the 11th International Conference on Soft Computing
and Pattern Recognition (SoCPaR 2019), Hyderabad, India, December
13-15, 2019},
series = {Advances in Intelligent Systems and Computing},
volume = {1182},
pages = {90--101},
publisher = {Springer},
year = {2019},
url = {https://doi.org/10.1007/978-3-030-49345-5\_10},
doi = {10.1007/978-3-030-49345-5\_10},
timestamp = {Sat, 30 Sep 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/conf/socpar/PratamaMCCA19.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-1802-06404,
author = {Satrya Fajri Pratama and
Azah Kamilah Muda and
Yun{-}Huoy Choo and
Ramon Carb{\'{o}}{-}Dorca and
Ajith Abraham},
title = {Using 3D Hahn Moments as {A} Computational Representation of {ATS}
Drugs Molecular Structure},
journal = {CoRR},
volume = {abs/1802.06404},
year = {2018},
url = {http://arxiv.org/abs/1802.06404},
eprinttype = {arXiv},
eprint = {1802.06404},
timestamp = {Mon, 13 Aug 2018 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/corr/abs-1802-06404.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Carbo-Dorca16,
author = {Ramon Carb{\'{o}}{-}Dorca},
title = {Aromaticity, quantum multimolecular polyhedra, and quantum {QSPR}
fundamental equation},
journal = {J. Comput. Chem.},
volume = {37},
number = {1},
pages = {78--82},
year = {2016},
url = {https://doi.org/10.1002/jcc.24021},
doi = {10.1002/JCC.24021},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Carbo-Dorca16.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Carbo-Dorca13,
author = {Ramon Carb{\'{o}}{-}Dorca},
title = {Notes on quantitative structure-property relationships (QSPR), part
3: Density functions origin shift as a source of quantum {QSPR} algorithms
in molecular spaces},
journal = {J. Comput. Chem.},
volume = {34},
number = {9},
pages = {766--779},
year = {2013},
url = {https://doi.org/10.1002/jcc.23198},
doi = {10.1002/JCC.23198},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Carbo-Dorca13.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Carbo-DorcaBM11,
author = {Ramon Carb{\'{o}}{-}Dorca and
Emili Besal{\'{u}} and
Luz Dary Mercado},
title = {Communications on quantum similarity, part 3: {A} geometric-quantum
similarity molecular superposition algorithm},
journal = {J. Comput. Chem.},
volume = {32},
number = {4},
pages = {582--599},
year = {2011},
url = {https://doi.org/10.1002/jcc.21644},
doi = {10.1002/JCC.21644},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Carbo-DorcaBM11.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Carbo-DorcaM10,
author = {Ramon Carb{\'{o}}{-}Dorca and
Luz Dary Mercado},
title = {Commentaries on quantum similarity {(1):} Density gradient quantum
similarity},
journal = {J. Comput. Chem.},
volume = {31},
number = {11},
pages = {2195--2212},
year = {2010},
url = {https://doi.org/10.1002/jcc.21510},
doi = {10.1002/JCC.21510},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Carbo-DorcaM10.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Carbo-DorcaB10,
author = {Ramon Carb{\'{o}}{-}Dorca and
Emili Besal{\'{u}}},
title = {Communications on quantum similarity {(2):} {A} geometric discussion
on holographic electron density theorem and confined quantum similarity
measures},
journal = {J. Comput. Chem.},
volume = {31},
number = {13},
pages = {2452--2462},
year = {2010},
url = {https://doi.org/10.1002/jcc.21537},
doi = {10.1002/JCC.21537},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Carbo-DorcaB10.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/PoaterSCPSCW09,
author = {Albert Poater and
Ana Gallegos Saliner and
Ramon Carb{\'{o}}{-}Dorca and
Jordi Poater and
Miquel Sol{\`{a}} and
Luigi Cavallo and
Andrew P. Worth},
title = {Modeling the structure-property relationships of nanoneedles: {A}
journey toward nanomedicine},
journal = {J. Comput. Chem.},
volume = {30},
number = {2},
pages = {275--284},
year = {2009},
url = {https://doi.org/10.1002/jcc.21041},
doi = {10.1002/JCC.21041},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/PoaterSCPSCW09.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Carbo-DorcaGS09,
author = {Ramon Carb{\'{o}}{-}Dorca and
Ana Gallegos and
{\'{A}}ngel J. S{\'{a}}nchez},
title = {Notes on quantitative structure-properties relationships {(QSPR)}
{(1):} {A} discussion on a {QSPR} dimensionality paradox {(QSPR} {DP)}
and its quantum resolution},
journal = {J. Comput. Chem.},
volume = {30},
number = {7},
pages = {1146--1159},
year = {2009},
url = {https://doi.org/10.1002/jcc.21145},
doi = {10.1002/JCC.21145},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Carbo-DorcaGS09.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/Carbo-DorcaS09,
author = {Ramon Carb{\'{o}}{-}Dorca and
Ana Gallegos Saliner},
title = {Notes on quantitative structure-properties relationships {(QSPR)}
part 2: The role of the number of atoms as a molecular descriptor},
journal = {J. Comput. Chem.},
volume = {30},
number = {13},
pages = {2099--2104},
year = {2009},
url = {https://doi.org/10.1002/jcc.21208},
doi = {10.1002/JCC.21208},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/Carbo-DorcaS09.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@incollection{DBLP:reference/complexity/Carbo-DorcaG09,
author = {Ramon Carb{\'{o}}{-}Dorca and
Ana Gallegos},
editor = {Robert A. Meyers},
title = {Quantum Similarity and Quantum Quantitative Structure-Properties Relationships
{(QQSPR)}},
booktitle = {Encyclopedia of Complexity and Systems Science},
pages = {7422--7480},
publisher = {Springer},
year = {2009},
url = {https://doi.org/10.1007/978-0-387-30440-3\_440},
doi = {10.1007/978-0-387-30440-3\_440},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/reference/complexity/Carbo-DorcaG09.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/BultinckPC07,
author = {Patrick Bultinck and
Robert Ponec and
Ramon Carb{\'{o}}{-}Dorca},
title = {Aromaticity in linear polyacenes: Generalized population analysis
and molecular quantum similarity approach},
journal = {J. Comput. Chem.},
volume = {28},
number = {1},
pages = {152--160},
year = {2007},
url = {https://doi.org/10.1002/jcc.20491},
doi = {10.1002/JCC.20491},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/BultinckPC07.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/MartinezBBC06,
author = {Joaquim Chaves Martinez and
Joan M. Barroso and
Patrick Bultinck and
Ramon Carb{\'{o}}{-}Dorca},
title = {Toward an Alternative Hardness Kernel Matrix Structure in the Electronegativity
Equalization Method {(EEM)}},
journal = {J. Chem. Inf. Model.},
volume = {46},
number = {4},
pages = {1657--1665},
year = {2006},
url = {https://doi.org/10.1021/ci050505e},
doi = {10.1021/CI050505E},
timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/MartinezBBC06.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/FerroGBJCR06,
author = {Noel Ferro and
Ana Gallegos and
Patrick Bultinck and
Hans{-}J{\"{o}}rg Jacobsen and
Ramon Carb{\'{o}}{-}Dorca and
Thomas Reinard},
title = {Coulomb and Overlap Self-Similarities: {A} Comparative Selectivity
Analysis of Structure-Function Relationships for Auxin-like Molecules},
journal = {J. Chem. Inf. Model.},
volume = {46},
number = {4},
pages = {1751--1762},
year = {2006},
url = {https://doi.org/10.1021/ci050491c},
doi = {10.1021/CI050491C},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/FerroGBJCR06.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/GallegosCLCS05,
author = {Ana Gallegos and
Ramon Carb{\'{o}}{-}Dorca and
Fran{\c{c}}ois Lodier and
Eric Canc{\`{e}}s and
Andreas Savin},
title = {Maximal probability domains in linear molecules},
journal = {J. Comput. Chem.},
volume = {26},
number = {5},
pages = {455--460},
year = {2005},
url = {https://doi.org/10.1002/jcc.20180},
doi = {10.1002/JCC.20180},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/GallegosCLCS05.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/GironesC04,
author = {Xavier Giron{\'{e}}s and
Ramon Carb{\'{o}}{-}Dorca},
title = {TGSA-Flex: Extending the capabilities of the Topo-Geometrical superposition
algorithm to handle flexible molecules},
journal = {J. Comput. Chem.},
volume = {25},
number = {2},
pages = {153--159},
year = {2004},
url = {https://doi.org/10.1002/jcc.10258},
doi = {10.1002/JCC.10258},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/GironesC04.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/PonecYC03,
author = {Robert Ponec and
Gleb Yuzhakov and
Ramon Carb{\'{o}}{-}Dorca},
title = {Chemical structures from the analysis of domain-averaged Fermi holes:
Multiple metalmetal bonding in transition metal compounds},
journal = {J. Comput. Chem.},
volume = {24},
number = {15},
pages = {1829--1838},
year = {2003},
url = {https://doi.org/10.1002/jcc.10322},
doi = {10.1002/JCC.10322},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/PonecYC03.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/BultinckC03,
author = {Patrick Bultinck and
Ramon Carb{\'{o}}{-}Dorca},
title = {Molecular Quantum Similarity Matrix Based Clustering of Molecules
Using Dendrograms},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {43},
number = {1},
pages = {170--177},
year = {2003},
url = {https://doi.org/10.1021/ci025602b},
doi = {10.1021/CI025602B},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/BultinckC03.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/BultinckLCT03,
author = {Patrick Bultinck and
Wilfried Langenaeker and
Ramon Carb{\'{o}}{-}Dorca and
Jan P. Tollenaere},
title = {Fast Calculation of Quantum Chemical Molecular Descriptors from the
Electronegativity Equalization Method},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {43},
number = {2},
pages = {422--428},
year = {2003},
url = {https://doi.org/10.1021/ci0255883},
doi = {10.1021/CI0255883},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/BultinckLCT03.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/BultinckKGC03,
author = {Patrick Bultinck and
Tom Kuppens and
Xavier Giron{\'{e}}s and
Ramon Carb{\'{o}}{-}Dorca},
title = {Quantum Similarity Superposition Algorithm {(QSSA):} {A} Consistent
Scheme for Molecular Alignment and Molecular Similarity Based on Quantum
Chemistry},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {43},
number = {4},
pages = {1143--1150},
year = {2003},
url = {https://doi.org/10.1021/ci0340153},
doi = {10.1021/CI0340153},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/BultinckKGC03.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/SalinerACSC03,
author = {Ana Gallegos Saliner and
Llu{\'{\i}}s Amat and
Ramon Carb{\'{o}}{-}Dorca and
T. Wayne Schultz and
Mark T. D. Cronin},
title = {Molecular Quantum Similarity Analysis of Estrogenic Activity},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {43},
number = {4},
pages = {1166--1176},
year = {2003},
url = {https://doi.org/10.1021/ci034014a},
doi = {10.1021/CI034014A},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/SalinerACSC03.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/BultinckCA03,
author = {Patrick Bultinck and
Ramon Carb{\'{o}}{-}Dorca and
Christian Van Alsenoy},
title = {Quality of Approximate Electron Densities and Internal Consistency
of Molecular Alignment Algorithms in Molecular Quantum Similarity},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {43},
number = {4},
pages = {1208--1217},
year = {2003},
url = {https://doi.org/10.1021/ci034060a},
doi = {10.1021/CI034060A},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/BultinckCA03.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/GironesC03,
author = {Xavier Giron{\'{e}}s and
Ramon Carb{\'{o}}{-}Dorca},
title = {Molecular Quantum Similarity-Based QSARs for Binding Affinities of
Several Steroid Sets J. Chem. Inf. Comput. Sci. 42, 1185-1193 {(2002)}},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {43},
number = {4},
pages = {1335--1336},
year = {2003},
url = {https://doi.org/10.1021/ci020347g},
doi = {10.1021/CI020347G},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/GironesC03.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/GironesCP03,
author = {Xavier Giron{\'{e}}s and
Ramon Carb{\'{o}}{-}Dorca and
Robert Ponec},
title = {Molecular Basis of {LFER.} Modeling of the Electronic Substituent
Effect Using Fragment Quantum Self-Similarity Measures},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {43},
number = {6},
pages = {2033--2038},
year = {2003},
url = {https://doi.org/10.1021/ci020050i},
doi = {10.1021/CI020050I},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/GironesCP03.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/GironesC02,
author = {Xavier Giron{\'{e}}s and
Ramon Carb{\'{o}}{-}Dorca},
title = {Using Molecular Quantum Similarity Measures under Stochastic Transformation
To Describe Physical Properties of Molecular Systems},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {42},
number = {2},
pages = {317--325},
year = {2002},
url = {https://doi.org/10.1021/ci0103370},
doi = {10.1021/CI0103370},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/GironesC02.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/PonecGC02,
author = {Robert Ponec and
Xavier Giron{\'{e}}s and
Ramon Carb{\'{o}}{-}Dorca},
title = {Molecular Basis of Linear Free Energy Relationships. The Nature of
Inductive Effect in Aliphatic Series},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {42},
number = {3},
pages = {564--570},
year = {2002},
url = {https://doi.org/10.1021/ci0100651},
doi = {10.1021/CI0100651},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/PonecGC02.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/GironesAC02,
author = {Xavier Giron{\'{e}}s and
Llu{\'{\i}}s Amat and
Ramon Carb{\'{o}}{-}Dorca},
title = {Modeling Large Macromolecular Structures Using Promolecular Densities},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {42},
number = {4},
pages = {847--852},
year = {2002},
url = {https://doi.org/10.1021/ci010348t},
doi = {10.1021/CI010348T},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/GironesAC02.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/GironesC02a,
author = {Xavier Giron{\'{e}}s and
Ramon Carb{\'{o}}{-}Dorca},
title = {Molecular Quantum Similarity-Based QSARs for Binding Affinities of
Several Steroid Sets},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {42},
number = {5},
pages = {1185--1193},
year = {2002},
url = {https://doi.org/10.1021/ci0202842},
doi = {10.1021/CI0202842},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/GironesC02a.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/GallegosRGC01,
author = {Ana Gallegos Saliner and
David Robert and
Xavier Giron{\'{e}}s and
Ramon Carb{\'{o}}{-}Dorca},
title = {Structure-toxicity relationships of polycyclic aromatic hydrocarbons
using molecular quantum similarity},
journal = {J. Comput. Aided Mol. Des.},
volume = {15},
number = {1},
pages = {67--80},
year = {2001},
url = {https://doi.org/10.1023/A:1011150003086},
doi = {10.1023/A:1011150003086},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/GallegosRGC01.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/GironesGC01,
author = {Xavier Giron{\'{e}}s and
Ana Gallegos Saliner and
Ramon Carb{\'{o}}{-}Dorca},
title = {Antimalarial activity of synthetic 1, 2, 4-trioxanes and cyclic peroxy
ketals, a quantum similarity study},
journal = {J. Comput. Aided Mol. Des.},
volume = {15},
number = {12},
pages = {1053--1063},
year = {2001},
url = {https://doi.org/10.1023/A:1015917510236},
doi = {10.1023/A:1015917510236},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/GironesGC01.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/GironesRC01,
author = {Xavier Giron{\'{e}}s and
David Robert and
Ramon Carb{\'{o}}{-}Dorca},
title = {{TGSA:} {A} molecular superposition program based on topo-geometrical
considerations},
journal = {J. Comput. Chem.},
volume = {22},
number = {2},
pages = {255--263},
year = {2001},
url = {https://doi.org/10.1002/1096-987X(20010130)22:2\&\#60;255::AID-JCC12\&\#62;3.0.CO;2-2},
doi = {10.1002/1096-987X(20010130)22:2\&\#60;255::AID-JCC12\&\#62;3.0.CO;2-2},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/GironesRC01.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/AmatBCP01,
author = {Llu{\'{\i}}s Amat and
Emili Besal{\'{u}} and
Ramon Carb{\'{o}}{-}Dorca and
Robert Ponec},
title = {Identification of Active Molecular Sites Using Quantum-Self-Similarity
Measures},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {41},
number = {4},
pages = {978--991},
year = {2001},
url = {https://doi.org/10.1021/ci000160u},
doi = {10.1021/CI000160U},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/AmatBCP01.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/GironesARC00,
author = {Xavier Giron{\'{e}}s and
Llu{\'{\i}}s Amat and
David Robert and
Ramon Carb{\'{o}}{-}Dorca},
title = {Use of electron-electron repulsion energy as a molecular descriptor
in {QSAR} and {QSPR} studies},
journal = {J. Comput. Aided Mol. Des.},
volume = {14},
number = {5},
pages = {477--485},
year = {2000},
url = {https://doi.org/10.1023/A:1008136520396},
doi = {10.1023/A:1008136520396},
timestamp = {Thu, 16 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/GironesARC00.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/RobertGC00,
author = {David Robert and
Xavier Giron{\'{e}}s and
Ramon Carb{\'{o}}{-}Dorca},
title = {Quantification of the Influence of Single-Point Mutations on Haloalkane
Dehalogenase Activity: {A} Molecular Quantum Similarity Study},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {40},
number = {3},
pages = {839--846},
year = {2000},
url = {https://doi.org/10.1021/ci9903408},
doi = {10.1021/CI9903408},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/RobertGC00.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/AmatC00,
author = {Llu{\'{\i}}s Amat and
Ramon Carb{\'{o}}{-}Dorca},
title = {Molecular Electronic Density Fitting Using Elementary Jacobi Rotations
under Atomic Shell Approximation},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {40},
number = {5},
pages = {1188--1198},
year = {2000},
url = {https://doi.org/10.1021/ci0000272},
doi = {10.1021/CI0000272},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/AmatC00.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/GironesGC00,
author = {Xavier Giron{\'{e}}s and
Ana Gallegos Saliner and
Ramon Carb{\'{o}}{-}Dorca},
title = {Modeling Antimalarial Activity: Application of Kinetic Energy Density
Quantum Similarity Measures as Descriptors in {QSAR}},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {40},
number = {6},
pages = {1400--1407},
year = {2000},
url = {https://doi.org/10.1021/ci0004558},
doi = {10.1021/CI0004558},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/GironesGC00.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/PonecAC99,
author = {Robert Ponec and
Llu{\'{\i}}s Amat and
Ramon Carb{\'{o}}{-}Dorca},
title = {Molecular basis of quantitative structure-properties relationships
{(QSPR):} {A} quantum similarity approach},
journal = {J. Comput. Aided Mol. Des.},
volume = {13},
number = {3},
pages = {259--270},
year = {1999},
url = {https://doi.org/10.1023/A:1008059505361},
doi = {10.1023/A:1008059505361},
timestamp = {Thu, 16 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/PonecAC99.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/RobertGC99,
author = {David Robert and
Xavier Giron{\'{e}}s and
Ramon Carb{\'{o}}{-}Dorca},
title = {Facet diagrams for quantum similarity data},
journal = {J. Comput. Aided Mol. Des.},
volume = {13},
number = {6},
pages = {597--610},
year = {1999},
url = {https://doi.org/10.1023/A:1008039618288},
doi = {10.1023/A:1008039618288},
timestamp = {Thu, 16 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/RobertGC99.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/AmatC99,
author = {Llu{\'{\i}}s Amat and
Ramon Carb{\'{o}}{-}Dorca},
title = {Fitted electronic density functions from {H} to Rn for use in quantum
similarity measures: cis-diamminedichloroplatinum(II) complex as an
application example},
journal = {J. Comput. Chem.},
volume = {20},
number = {9},
pages = {911--920},
year = {1999},
url = {https://doi.org/10.1002/(SICI)1096-987X(19990715)20:9\&\#60;911::AID-JCC2\&\#62;3.0.CO;2-O},
doi = {10.1002/(SICI)1096-987X(19990715)20:9\&\#60;911::AID-JCC2\&\#62;3.0.CO;2-O},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/AmatC99.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/RobertAC99,
author = {David Robert and
Llu{\'{\i}}s Amat and
Ramon Carb{\'{o}}{-}Dorca},
title = {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 = {J. Chem. Inf. Comput. Sci.},
volume = {39},
number = {2},
pages = {333--344},
year = {1999},
url = {https://doi.org/10.1021/ci980410v},
doi = {10.1021/CI980410V},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/RobertAC99.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/AmatCP98,
author = {Llu{\'{\i}}s Amat and
Ramon Carb{\'{o}}{-}Dorca and
Robert Ponec},
title = {Molecular quantum similarity measures as an alternative to log {P}
values in {QSAR} studies},
journal = {J. Comput. Chem.},
volume = {19},
number = {14},
pages = {1575--1583},
year = {1998},
url = {https://doi.org/10.1002/(SICI)1096-987X(19981115)19:14\&\#60;1575::AID-JCC3\&\#62;3.0.CO;2-G},
doi = {10.1002/(SICI)1096-987X(19981115)19:14\&\#60;1575::AID-JCC3\&\#62;3.0.CO;2-G},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/AmatCP98.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/RobertC98,
author = {David Robert and
Ramon Carb{\'{o}}{-}Dorca},
title = {A Formal Comparison between Molecular Quantum Similarity Measures
and Indices},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {38},
number = {3},
pages = {469--475},
year = {1998},
url = {https://doi.org/10.1021/ci970105u},
doi = {10.1021/CI970105U},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/RobertC98.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/RobertC98a,
author = {David Robert and
Ramon Carb{\'{o}}{-}Dorca},
title = {Analyzing the Triple Density Molecular Quantum Similarity Measures
with the {INDSCAL} Model},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {38},
number = {4},
pages = {620--623},
year = {1998},
url = {https://doi.org/10.1021/ci970121r},
doi = {10.1021/CI970121R},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/RobertC98a.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/AmatRBC98,
author = {Llu{\'{\i}}s Amat and
David Robert and
Emili Besal{\'{u}} and
Ramon Carb{\'{o}}{-}Dorca},
title = {Molecular Quantum Similarity Measures Tuned 3D {QSAR:} An Antitumoral
Family Validation Study},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {38},
number = {4},
pages = {624--631},
year = {1998},
url = {https://doi.org/10.1021/ci9800108},
doi = {10.1021/CI9800108},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/AmatRBC98.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/ConstansAC97,
author = {Pere Constans and
Llu{\'{\i}}s Amat and
Ramon Carb{\'{o}}{-}Dorca},
title = {Toward a global maximization of the molecular similarity function:
Superposition of two molecules},
journal = {J. Comput. Chem.},
volume = {18},
number = {6},
pages = {826--846},
year = {1997},
url = {https://doi.org/10.1002/(SICI)1096-987X(19970430)18:6\&\#60;826::AID-JCC8\&\#62;3.0.CO;2-U},
doi = {10.1002/(SICI)1096-987X(19970430)18:6\&\#60;826::AID-JCC8\&\#62;3.0.CO;2-U},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/ConstansAC97.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/ConstansC95,
author = {Pere Constans and
Ramon Carb{\'{o}}},
title = {Atomic Shell Approximation: Electron Density Fitting Algorithm Restricting
Coefficients to Positive Values},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {35},
number = {6},
pages = {1046--1053},
year = {1995},
url = {https://doi.org/10.1021/ci00028a015},
doi = {10.1021/CI00028A015},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/ConstansC95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/candc/CarboB94,
author = {Ramon Carb{\'{o}} and
Emili Besal{\'{u}}},
title = {Definition, Mathematical Examples and Quantum Chemical Applications
of Nested Summation Symbols and Logical Kronecker Deltas},
journal = {Comput. Chem.},
volume = {18},
number = {2},
pages = {117--126},
year = {1994},
url = {https://doi.org/10.1016/0097-8485(94)85005-4},
doi = {10.1016/0097-8485(94)85005-4},
timestamp = {Mon, 18 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/candc/CarboB94.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/MestresSDC94,
author = {Jordi Mestres and
Miquel Sol{\`{a}} and
Miquel Duran and
Ramon Carb{\'{o}}},
title = {On the Calculation of Ab Initio Quantum Molecular Similarities for
Large Systems: Fitting the Electron Density},
journal = {J. Comput. Chem.},
volume = {15},
number = {10},
pages = {1113--1120},
year = {1994},
url = {https://doi.org/10.1002/jcc.540151007},
doi = {10.1002/JCC.540151007},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/MestresSDC94.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/SolaMDC94,
author = {Miquel Sol{\`{a}} and
Jordi Mestres and
Miquel Duran and
Ramon Carb{\'{o}}},
title = {Ab Initio Quantum Molecular Similarity Measures on Metal-Substituted
Carbonic Anhydrase (MIICA, {M} = Be, Mg, Mn, Co, Ni, Cu, Zn, and Cd)},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {34},
number = {5},
pages = {1047--1053},
year = {1994},
url = {https://doi.org/10.1021/ci00021a003},
doi = {10.1021/CI00021A003},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/SolaMDC94.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/CarboC92,
author = {Ramon Carb{\'{o}} and
Blanca Calabuig},
title = {Quantum similarity measures, molecular cloud description, and structure-properties
relationships},
journal = {J. Chem. Inf. Comput. Sci.},
volume = {32},
number = {6},
pages = {600--606},
year = {1992},
url = {https://doi.org/10.1021/ci00010a005},
doi = {10.1021/CI00010A005},
timestamp = {Thu, 14 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/CarboC92.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
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