Eccentric Connectivity Index: A Novel Highly Discriminating Topological Descriptor for Structure−Property and Structure−Activity Studies

American Chemical Society (ACS) - Tập 37 Số 2 - Trang 273-282 - 1997
Vikas Sharma1, Reena Goswami2, А. К. Мадан3
1Ranbaxy Research Laboratories, Plot-20, Sector-18, Udyog Vihar, Gurgaon - 122001, India
2College of Pharmacy, Pushp Vihar, Sector-III, New Delhi - 110017, India
3Department of Pharmaceutical Sciences, M. D. University, Rohtak - 124001, India

Tóm tắt

Từ khóa


Tài liệu tham khảo

Trinajstić, 1983, Chemical Graph Theory

Kier L. B., 1986, Molecular Connectivity in Structure-Activity Analysis

Basak S. C., 1994, J. Chem. Inf. Comput. Sci., 34, 270, 10.1021/ci00018a007

Balaban A. T., 1983, Top. Curr. Chem., 114, 23

Randić M., 1978, Quant. Chem. Biol. Symp. 5

Basak S. C., 1987, Math. Modelling, 8, 300, 10.1016/0270-0255(87)90594-X

Basak S. C., 1991, J. Math. Chem., 7, 243, 10.1007/BF01200826

Katritzky A. K., 1993, J. Chem. Inf. Comput. Sci., 33, 835, 10.1021/ci00016a005

Randić M., 1983, Int. J. Quant. Chem., 24, 435, 10.1002/qua.560240503

Wiener H., 1947, J. Chem. Phys., 25, 766, 10.1063/1.1746328

Galvez J., 1995, J. Chem. Inf. Comput. Sci., 35, 272, 10.1021/ci00024a017

Sablic A., 1981, Acta. Pharm. Jugosl., 31, 189

Kier L. B., 1976, Molecular Connectivity in Chemistry and Drug Research

Rouvray D. H., 1989, J. Mol. Struct. (THEOCHEM), 185, 187, 10.1016/0166-1280(89)85013-4

Balaban A. T., 1976, Applications of Graph Theory

Muller W. R., 1990, J. Chem. Inf. Comput. Sci., 30, 160, 10.1021/ci00066a011

Rao, 1994, Graph Theory

Petitjean M., 1992, J. Chem. Inf. Comput. Sci., 32, 331, 10.1021/ci00008a012

Randić M., 1975, J. Am. Chem. Soc., 97, 6609, 10.1021/ja00856a001

Kier L. B., 1977, J. Med. Chem., 20, 1631, 10.1021/jm00222a019

Hall L. H., 1975, J. Pharm. Sci., 64, 1974, 10.1002/jps.2600641215

Kier L. B., 1975, J. Pharm. Sci., 64, 1971, 10.1002/jps.2600641214

Kier L. B., 1976, J. Pharm. Sci., 65, 1806, 10.1002/jps.2600651228

Baghey J. R., 1991, J. Med. Chem., 34, 827, 10.1021/jm00106a051

Randić M., 1995, J. Chem. Inf. Comput. Sci., 35, 140, 10.1021/ci00023a021

Balaban A. T., 1995, J. Chem. Inf. Comput. Sci., 35, 339, 10.1021/ci00025a001