Continuum regression: Optimised prediction of biological activity

Pesticide Science

Volumn 46, Issue 3, 1996, Pages 282-284

  Malpass, Jonathan ^a   Salt, David ^a   Ford, Martyn ^a  

^a UNIVERSITY OF PORTSMOUTH   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0342452891     PISSN: 0031613X     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1096-9063(199603)46:3<282::aid-ps352>3.3.co;2-r     Document Type: Article

References (6)

1. Wold, S., Cross-validatory estimation of the number of components in factor and principal components models, Technometrics, 20 (1978) 397-405.
2. Malpass, J. A., Salt, D. W., Ford, M. G., Wynn, E. W. & Livingstone, D. J., Prediction of biological activity using continuum regression. In Trends in QSAR and Molecular Modelling 92, ed. C. G. Wermuth. ESCOM Science Publishers B V, Leiden, The Netherlands, 1993, pp. 314-16.
3. Malpass, J. A., Salt, D. W., Ford, M. G., Wynn, E. W. & Livingstone, D. J., Continuum regression: a new algorithm for the prediction of biological activity. In Advanced Computer-Assisted Techniques for Drug Discovery, éd. H. V. de Waterbeemd. VCH VmbH, Weinheim, Germany (1994), pp. 163-89.
4. Stone, M. & Brooks, R. J., Continuum regression: crossvalidated sequentially constructed prediction embracing ordinary least squares, partial least squares and principal components regression, J. R. Statist. Soc. B, 52 (1990) 23769.
5. Kamlet, M. J., Doherty, R. M., Fiserova-Bergerova, V., Carr, P. W., Abrahams, M. H. & Taft, R. W., Solubility properties in biological media 9: Prediction of solubility and partition of organic nonelectrolytes in blood and tissues from solvachromatic parameters, J. Pharm. Sci., 76 (1987) 14-17.
6. Szydlo, R. M., An investigation of the pharmacokinetics of pyrethroid insecticides in the adult mustard beetle Phaedon cochleariae Fab. PhD Thesis, CNAA (1987) pp. 110-11, 213.