EVA: A new theoretically based molecular descriptor for use in QSAR/QSPR analysis

Journal of Computer-Aided Molecular Design

Volumn 11, Issue 2, 1997, Pages 143-152

  Ferguson, A M ^a,b   Heritage, T ^a,b   Jonathon, P ^a,c   Pack, S E ^a,d   Phillips, L ^a,e   Rogan, J ^a,f   Snaith, P J ^a,g  

^a Sittingbourne Research Centre   (United Kingdom)

^b TRIPOS INC   (United States)

^c Shell Research Ltd   (United Kingdom)

^d PROCTER AND GAMBLE COMPANY   (United States)

^e UNIVERSITY OF PORTSMOUTH   (United Kingdom)

^f Shell International Petroleum Limited   (United Kingdom)

^g Shell Français   (France)

Author keywords

Drug discovery; EVA; Log Pow; Molecular descriptor; Normal coordinate analysis; QSAR; QSPR

Indexed keywords

DESCRIPTORS; DRUG DISCOVERY; EVA; ITS APPLICATIONS; LOG POW; MOLECULAR DESCRIPTORS; NORMAL COORDINATE ANALYSIS; QSAR; QSAR/QSPR; QSPR;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; COMPUTER PROGRAM; DRUG DESIGN; EVALUATION; STATISTICS; STRUCTURE ACTIVITY RELATION;

DRUG DESIGN; EVALUATION STUDIES; MODELS, CHEMICAL; MOLECULAR STRUCTURE; SOFTWARE; STATISTICS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0031085401     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008026308790     Document Type: Article

References (12)

1. Cramer III, R.D., J. Am. Chem. Soc., 102 (1980) 1837.
2. Johnson, C.D., The Hammett Equation, Cambridge University Press, Cambridge, U.K., 1973.
3. Hansch, C., Sammes, P.G., Taylor, J.B. and Ramsden, C.A. (Eds.) Comprehensive Medicinal Chemistry, Vol. 4, Pergamon, Oxford, U.K., 1990.
4. Cramer III, R.D., Patterson, D.E. and Bunce, J.D., J. Am. Chem. Soc., 110 (1988) 5959.
5. Stahle, L. and Wold, S., Prog. Med. Chem., 25 (1988) 292.
6. Sun Jin Cho and Tropsha, A., J. Med. Chem., 38 (1995) 1060.
7. Golton, A.V., In Straughan, B.P. and Walker, S. (Eds.), Spectroscopy, Vol. 2, Chapman and Hall, London, U.K., 1976, p. 9.
8. Leo, A.J., MEDCHEM database, Pomona College Medicinal Chemistry Project, Claremont College, CA, U.S.A.
9. Cramer III, R.D., Bunce, J.D., Patterson, D.E. and Frank, I., Quant. Struct.-Act. Relatsh., 7 (1988) 18.
10. Cramer III, R.D., J. Am. Chem. Soc., 102 (1980) 1849.
11. Wold, S., Quant. Struct.-Act. Relatsh., 10 (1991) 191.
12. Clark, M. and Cramer III, R.D., Quant. Struct.-Act. Relatsh., 12 (1993) 137.