References
- Booth , R. G. , Wyrick , S. D. , Baldessarini , R. J. , Kula , N. S. , Myers , A. M. and Mailman , R. B. 1993 . New [sgrave]-like receptor recognized by novel phenylaminotetralines: ligand binding and functional studies . Mol. Pharmacol. , 44 : 1232 – 1239 .
- Wyric , S. D. , Booth , R. G. , Myers , A. M. , Owens , C. E. , Kula , N. S. , Baldessarini , R. J. , McPhail , A. T. and Mailman , R. B. 1993 . Synthesis and pharmacological evaluation of 1-phenyl-3-amino-1,2,3,4-tetrahydronaphthalenes as ligands for a novel receptor with neuromodulatory sigma-like activity . J. Med. Chem. , 36 : 2542 – 2551 .
- Bucholtz , E. C. , Wyric , S. D. , Brown , R. L. , Tropsha , A. , Booth , R. G. and Wyric , S. D. 1999 . Synthesis, evaluation, and comparative molecular field analysis of 1-phenyl-3-amino-1,2,3,4-tetrahydronaphthalenes as ligands for histamine H1receptors . J. Med. Chem. , 42 : 3041 – 3054 .
- Trinajstic , N. 1992 . Chemical Graph Theory , 2nd ed. 20 – 25 . Boca Raton, FL : CRC Press .
- Kier , L. B. 1980 . Use of molecular negentropy to encode structure governing biological activity . J. Pharm. Sci. , 69 : 807 – 810 .
- Kier , L. B. and Hall , L. H. 1976 . Molecular Connectivity in Chemistry and Drug Research , 50 – 53 . New York : Academic Press .
- Kier , L. B. and Hall , L. H. 1986 . Molecular Connectivity in Structure-Activity Relationship , 8 – 12 . New York : Wiley .
- Wiener , H. 1947 . Structural determination of paraffins boiling points . J. Am. Chem. Soc. , 69 : 17 – 20 .
- Gutman , I. 1994 . A formula for the Wiener number of trees and its extension to graphs containing cycles . Graph Theory Notes New York , 27 : 9 – 15 .
- Khadikar , P. V. , Deshpande , N. V. , Kale , P. P. , Dobrynin , A. , Gutman , I. and Domotor , G. 1995 . The Szeged index and an analogy with Wiener index . J. Chem. Inf. Comput. Sci. , 35 : 547 – 550 .
- Mandloi , M. , Sikarwar , A. , Sapre , N. S. , Karmarkar , S. and Khadikar , P. V. 2000 . A comparative QSAR study using Wiener, Szeged, and molecular connectivity indices . J. Chem. Inf. Comput. Sci. , 40 : 57 – 62 .
- Randic , M. 1975 . On characterization of molecular branching . J. Am. Chem. Soc. , 97 : 6609 – 6615 .
- Cheng , Y. C. and Prusoff , W. H. 1973 . Relationship between the inhibitor constant (K1)and the concentration of inhibition which causes 50% inhibition of an enzymatic reaction . Biochem. Pharmacol. , 22 : 3099 – 3108 .
- Chatterjee , S. , Hadi , A. S. and Price , B. 2000 . Regression Analysis by Examples , 3rd ed. 51 – 80 . New York : Wiley .
- Lucic , B. and Trinajstic , N. 1999 . A new efficient approach for variable selection based on multiple regression, prediction of gas chromatographic retention times and response factors . J. Chem. Inf. Comput. Sci. , 39 : 610 – 621 .
- Lucic , B. and Trinajstic , N. 1999 . Multivariate regression out performs several robust architectures of neural networks in QSAR modelling . J. Chem. Inf. Comput. Sci. , 39 : 121 – 132 .
- Pogliani , L. 1994 . Structure property relationships of amino acids and some peptides . Amino Acids , 6 : 141 – 153 .
- Pogliani , L. 1996 . Modelling with special descriptors derived from a medium size set of connectivity indices . J. Phys. Chem. , 100 : 18065 – 18077 .