Molecular Quantum Similarity Measures as Descriptors for Quantum QSAR

References

• Kubinyi , H. , ed. 1993 . 3D QSAR in Drug Design: Theory, Methods and Applications , Leiden : ESCOM .
   Google Scholar
• Hansch , C. and Fujita , T. 1964 . J. Am. Chem. Soc. , 86 : 1616
   Web of Science ®Google Scholar
• Kaiser , K. L. E. , ed. 1987 . QSAR in Environmental Toxicology , Dordrecht : Reidel .
   Google Scholar
• Carbó , R. and Mezey , P. G. , eds. 1996 . Advances in Molecular Similarity , Vol. 1 , Greenwich : JAI Press .
   Google Scholar
• 1998 . Vol. 2 ,
   Google Scholar
• Johnson , M. A. and Maggiora , G. , eds. 1990 . Concepts and Applications of Molecular Similarity , New York : Wiley .
   Google Scholar
• Dean , P. M. , ed. 1995 . Molecular Similarity in Drug Design , London : Blackie .
   Google Scholar
• Carbó , R. , Leyda , L. and Arnau , M. 1980 . Int. J. Quantum Chem. , 17 : 1185
   Web of Science ®Google Scholar
• Hammett , L. P. 1940 . Physical Organic Chemistry , New York : McGraw-Hill .
   Google Scholar
• Amat , L. , Carbó-Dorca , R. and Ponec , R. 1998 . J. Comput. Chem. , 14 : 1575
   Google Scholar
• Ponec , R. , Amat , L. and Carbó-Dorca , R. 1999 . J. Comput.-Aided Mol. Design , 13 : 259
   PubMedGoogle Scholar
• Ponec , R. , Amat , L. L. and Carbó-Dorca , R. 1999 . J. Phys. Org. Chem. , 12 : 447
   Google Scholar
• Amat , L. , Carbó-Dorca , R. and Ponec , R. 1999 . J. Med. Chem. , 42 : 5169
   PubMed Web of Science ®Google Scholar
• Kier , L. B. and Hall , L. H. 1986 . Molecular Connectivity in Structure-Activity Analysis , Letchwork : Research Studies Press .
   Google Scholar
• Lobato , M. , Amat , L. , Besalú , E. and Carbó-Dorca , R. 1997 . Quant. Struct.-Act. Relat. , 16 : 465
   Google Scholar
• Mestres , J. , Solà , M. , Duran , M. and Carbó , R. 1994 . J. Comput. Chem. , 15 : 1113
   Google Scholar
• Cioslowski , J. , Piskorz , P. and Rez , P. 1997 . J. Chem. Phys. , 106 : 3607
   Google Scholar
• Constans , P. and Carbó , R. 1995 . J. Chem. Inf. Comput. Sci. , 35 : 1046
   Google Scholar
• Amat , L. and Carbó-Dorca , R. 1997 . J. Comput. Chem. , 18 : 2023
   Web of Science ®Google Scholar
• Amat , L. and Carbó-Dorca , R. 1999 . J. Comput. Chem. , 20 : 911
   Google Scholar
• Carbó-Dorca , R. , Amat , L. , Besalú , E. , Gironés , X. and Robert , D. The Fundamentals of Molecular Similarity , Edited by: Carbó-Dorca , R. and Mezey , P. G. Dordrecht : Kluwer . in press
   Google Scholar
• http://www.iqc.udg.es/cat/similarity/ASA/funcset.htmlASA coefficients and exponents can be seen and downloaded from
   Google Scholar
• Redington , P. K. 1992 . Comput. Chem. , 16 : 217
   Google Scholar
• Atai , L. , Tomioka , N. , Yamada , M. , Inoue , A. and Kato , Y. 1993 . D QSAR in Drug Design: Theory, Methods and Applications , Edited by: Kubinyi , H. 200 – 225 . Leiden : ESCOM .
   Google Scholar
• Lemmen , C. , Lengauer , T. and Klebe , G. 1998 . J. Med. Chem. , 23 : 4502
   Google Scholar
• Constans , P. , Amat , L. and Carbó-Dorca , R. 1997 . J. Comput. Chem. , 18 : 826
   Google Scholar
• CarbéoA , R. , Besalú , E. , Amat , L. and Fradera , X. 1995 . J. Math. Chem. , 18 : 237
   Google Scholar
• Good , A. C. , So , S. S. and Richards , W. G. 1993 . J. Med. Chem. , 36 : 433
   PubMed Web of Science ®Google Scholar
• Cox , T. F. and Cox , M. A. A. 1994 . Multidimensional Scaling , London : Chapman & Hall .
   Google Scholar
• Cuadras , C. M. , Arenas , C. and Fortiana , J. 1996 . Commun. Statist. Simula , 25 : 593
   Web of Science ®Google Scholar
• Carbó-Dorca , R. 1998 . J. Math. Chem. , 23 : 353
   Google Scholar
• 1998 . 23 : 365
   Google Scholar
• Wold , S. and Eriksson , L. 1995 . Chemometric Methods in Molecular Design , Edited by: Van der Waterbeemd , H. Vol. 2 , 309 – 318 . New York : VCH Publishers .
   Google Scholar
• Fradera , X. , Amat , L. , Besalú , E. and Carbó-Dorca , R. 1997 . Quant. Struct.-Act. Relat. , 16 : 25
   Google Scholar
• Carbó-Dorca , R. , Amat , L. , Besalú , E. , Gironés , X. and Robert , D. J. Mol. Struct. , (THEOCHEM), in press
   Google Scholar
• Robert , D. , Amat , L. and Carbó-Dorca , R. 1999 . J. Chem. Inf. Comput. Sci. , 39 : 333
   PubMedGoogle Scholar
• Unpublished results
   Google Scholar
• Amat , L. , Robert , D. , Besalú , E. and Carbó-Dorca , R. 1998 . J. Chem. Inf. Comput. Sci. , 38 : 624
   PubMedGoogle Scholar
• Karabunarliev , S. , Mekenyan , O. G. , Karcher , W. , Russon , C. L. and Bradbury , S. P. 1996 . Quant. Struct.-Act. Relat. , 15 : 311
   Google Scholar
• Gute , B. D. and Basak , S. C. 1997 . SAR QSAR Environ. Res. , 7 : 117
   PubMedGoogle Scholar
• Urrestarazu , E. , Vaes , W. H. J. , Verhaar , H. J. M. and Hermens , J. L. M. 1998 . J. Chem. Inf. Comput. Sci. , 38 : 845
   Google Scholar
• Robert , D. and Carbó-Dorca , R. 1999 . SAR QSAR Environ. Res. , 10 : 401
   Web of Science ®Google Scholar
• Oxender , D. L. and Fox , C. F. , eds. 1987 . Protein Engineering , 221 – 224 . New York : Alan R. Liss .
   Google Scholar
• Robert , D. , Gironés , X. and Carbó-Dorca , R. J. Chem. Inf. Comput. Sci. , in press
   Google Scholar
• Gironés , X. , Amat , L. , Robert , D. and Carbó-Dorca , R. J. Comput.-Aided Mol. Design , in press
   Google Scholar
• Gironés , X. , Amat , L. and Carbó-Dorca , R. Scientia Gerundensis in press
   Google Scholar
• Gironés , X. , Amat , L. and Carbó-Dorca , R. SAR QSAR Environ. Res. , in press
   Google Scholar