References
- Carbó-Dorca , R , Robert , D , Amat , Ll. , Gironés , X and Besalú , E . 2000 . Molecular Quantum Similarity in QSAR and Drug Design; Lecture Notes in Chemistry 73 , Berlin : Springer Verlag .
- Carbó , R , Arnau , M and Leyda , L . 1980 . Int. J. Quant. Chem. , 17 : 1185
- Carbó-Dorca , R and Besalú , E . 1995 . Theoretical Foundation of Quantum Molecular Similarity in Molecular Similarity and Reactivity: From Quantum Chemical to Phenomenological Approaches , Edited by: Carbó , R. 3 Dordrecht : Kluwer Academic Publishers .
- Carbó , R and Besalú , E . 1998 . J. Mol. Struct. Theochem. , 451 : 11
- Carbó-Dorca , R . 2000 . Proceedings of European Congress on Computational Methods in Applied Sciences and Engineering . : 1 – 31 . ECCOMAS 2000, Barcelona
- Carbó-Dorca , R and Besalú , E . 2000 . Contribut. Sci. , 1 : 399
- Bultinck , P , Gironès , X and Carbó-Dorca , R . 2005 . Rev. Comput. Chem. , 21 : 127
- Bunge , M . 1979 . Causality and Modern Science , New York : Dover Publications Inc .
- Carbó-Dorca , R . 1998 . Advan. Mol. Similar. , 2 : 43
- Carbó-Dorca , R . 2004 . J. Math. Chem. , 36 : 241
- Carbó , R , Besalú , E , Amat , Ll. and Fradera , X . 1995 . J. Math. Chem. , 18 : 237
- Carbó , R and Besalú , E . 1995 . J. Math. Chem. , 18 : 37
- Carbó , R and Besalú , E . 1996 . Applications of Nested Summation Symbols to Quantum Chemistry: Formalism and Programming Techniques, in Strategies and Applications in Quantum Chemistry , Edited by: Ellinger , Y and Defranceschi , M . 299 Dordrecht, The Netherlands : Kluwer Academic Publishers .
- Carbó-Dorca , R and Besalú , E . 2001 . J. Math. Chem. , 29 : 3
- Carbó-Dorca , R and Besalú , E . 2002 . Int. J. Quantum Chem. , 88 : 167
- Carbó , R and Calabuig , B . 1990 . Molecular Similarity and Quantum Chemistry. In Concepts and Applications of Molecular Similarity , Edited by: Johnson , MA and Maggiora , GM . Vol. Chapter 6 , New York : John Wiley & Sons .
- Carbó , R , Calabuig , B , Vera , L and Besalú , E . 1994 . Adv. Quantum. Chem. , 25 : 253
- Carbó-Dorca , R . 2001 . J. Mol. Struct. Theochem. , 537 : 41
- Carbó-Dorca , R , Amat , Ll. , Besalú , E , Gironès , X and Robert , D . 2000 . J. Mol. Struc. Theochem. , 504 : 181
- Carbó , R , Besalú , E , Amat , Ll. and Fradera , X . 1995 . J. Math. Chem. , 18 : 237
- Carbó-Dorca , R , Besalú , E , Amat , Ll. and Fradera , X . 1996 . Advances in Molecular Similarity , Edited by: Carbó-Dorca , R. and Mezey , P.G. Vol. 1 , 1 London : JAI Press .
- Carbó-Dorca , R , Amat , Ll. , Gironès , X and Robert , D . 2001 . Quantum Molecular Similarity: Theory and Applications to the Evaluation of Molecular Properties, Biological Activities and Toxicity in Fundamentals of Molecular Similarity , Edited by: Carbó-Dorca , R. , Gironès , X. and Mezey , P.G. 187 New York : Kluwer Academic/Plenum Publishers .
- Robert , D , Gironès , X and Carbó-Dorca , R . 2000 . J. Chem. Inf. Comput. Sci. , 40 : 839
- Carbó-Dorca , R , Amat , L , Besalú , E , Gironès , X and Robert , D . 2000 . J. Mol. Struc. Theochem. , 504 : 181
- Robert , D , Amat , Ll. and Carbó-Dorca , R . 2000 . Int. J. Quant. Chem. , 80 : 265
- Gironès , X , Gallegos , A and Carbó-Dorca , R . 2000 . J. Chem. Inf. Comput. Sci. , 40 : 1400
- Robert , D , Gironés , X and Carbó-Dorca , R . 2000 . Polycycl. Aromat. Comp. , 19 : 51
- Renners , I , Carbó-Dorca , R , Grauel , A , Ludwig , LA , Robert , D and Gironès , X . 2000 . Proc. of the 2nd Int. ICSC Symposium on Neural Computation Berlin, Germany
- Renners , I , Ludwig , LA , Grauel , A , Benfenati , E , Pelagatti , S , Robert , D , Carbó-Dorca , R and Gironès , X . 2000 . Proc. IPMU2000, 8th Int. Conf. on Information Processing and Management of Uncertainty in Knowledge Based Systems 1021 ,
- Gallegos , A , Robert , D , Gironès , X and Carbó-Dorca , R . 2001 . J. Comput.-Aid. Mol. Desi. , 15 : 67
- Carbó-Dorca , R , Amat , L1 , Besalú , E , Gironès , X and Robert , D . 2001 . “ Quantum Molecular Similarity: Theory and Applications to the evaluation of molecular properties, biological activity and toxicity ” . In Mathematical and Computational Chemistry: Fundamentals of Molecular Similarity , 187 New York : Kluwer Academic/Plenum Publishers .
- Besalú , E , Gallegos , A and Carbó-Dorca , R . 2001 . MATCH-Comm. Math. Comput. Chem. , 44 : 41
- Gironès , X and Carbó-Dorca , R . 2001 . Sci. Gerunden. , 25 : 5
- Ponec , R , Gironès , X and Carbó-Dorca , R . 2002 . J. Chem. Inf. Comp. Sci. , 42 : 564
- Gironès , X , Gallegos , A and Carbó-Dorca , R . 2001 . J. Comp.-Aid. Mol. Desi. , 15 : 1053
- Gironès , X and Carbó-Dorca , R . 2002 . J. Chem. Inf. Comp. Sci. , 42 : 1185
- Gallegos , A , Amat , L1. , Carbó-Dorca , R , Schultz , TW and Cronin , M . 2003 . J. Chem. Inf. Comp. Sci. , 43 : 1166
- Amat , L1. , Carbó-Dorca , R , Cooper , DL , Allan , NL and Ponec , R . 2003 . Mol. Phys. , 101 : 3159
- Gironès , X , Carbó-Dorca , R and Ponec , R . 2003 . J. Chem. Inf. Comput. Sci. , 43 : 2033
- Niño , A , Muñoz-Caro , C , Carbó-Dorca , R and Gironès , X . 2003 . Biophys. Chem. , 104 : 417
- Gallegos , A , Carbó-Dorca , R , Ponec , R and Waisser , K . 2004 . Int. J. Pharm. , 269 : 51
- Gironès , X and Carbó-Dorca , R . 2004 . Molecular Similarity and Quantitative Structure-Activity Relationships in Computational Medicinal Chemistry for Drug Discovery , Edited by: Bultinck , P , De Winter , H , Langenaeker , W and Tollenaere , JP . 365 New York : Marcel Dekker Inc .
- Giralt , F , Espinosa , G , Arenas , A , Ferre-Gine , J , Amat , L1. , Gironès , X , Carbó-Dorca , R and Cohen , Y . 2004 . AIChE J. , 50 : 1315
- Carbó-Dorca , R and Gironès , X . 2005 . Int. J. Quant. Chem. , 101 : 8
- Gironès , X and Carbó-Dorca , R . 2006 . QSAR Comb. Sci. , 25 : 579
- Carbó , R and Domingo , Ll. 1987 . Algebra Matricial y Lineal , Madrid : Schaum/McGraw-Hill .
- Bultinck , P and Carbó-Dorca , R . 2003 . J. Chem. Inf. Comp. Sci. , 43 : 170
- Myers , RH . 1990 . Classical and Modern Regression with Applications , Boston : PWS-KENT Publishing Co. .
- Wold , S , Sjöström , M and Eriksson , L . 1994 . Encyclopedia of Computational Chemistry , Edited by: von Ragué Schleyer , P. , Allinger , N.L. , Clark , T. , Gasteiger , J. , Kollman , P.A. , Schaefer , H.F. III and Screiner , P.R. Vol. 4 , 2006 Chichester : John Wiley & Sons .
- Geladi , P and Kowalski , BR . 1986 . Anal. Chim. Acta. , 185 : 1
- Wold , S , Johansson , E and Cocchi , M . 1993 . 3D QSAR in Drug Design , Edited by: Kubinyi , H. 523 – 550 . Leiden : ESCOM .
- Montgomery , DC and Peck , EA . 1992 . Introduction to Linear Regression Analysis , New York : John Wiley & Sons .
- Whitley , DC , Ford , MG and Livingstone , DJ . 2000 . J. Chem. Inf. Comput. Sci. , 40 : 1160
- Wold , S . 1978 . Technometrics , 20 : 125
- Jolliffe , IT . 1986 . Principal Component Analysis , New York : Springer .
- Pla , L . 1986 . Análisis Multivariado: Método de Componentes Principales , Washington : Monography no. 27 Secretaría General de la OEA .
- Cattell , RB . 1966 . Multivar. Behab. Res. , 1 : 245
- Wold , S and Erikson , L . 1995 . Chemometric methods in molecular design , Edited by: Van de Waterbeemd , H. 309 New York : VCH .
- Allen , DM . 1974 . Technometrics , 16 : 125
- Shao , J . 1993 . J. Am. Stat. Assoc. , 88 : 486
- Carbó-Dorca , R . 2000 . Int. J. Quantum Chem. , 79 : 163
- Carbó , R and Calabuig , B . 1992 . Int. J. Quantum Chem. , 42 : 1681
- Finkbeiner , D.T. II . 1966 . Introduction to Matrices and Linear Transformations , San Francisco, CA : W.H. Freeman and Co. .