Genetic function approximation

Rogers D and A J Hopfinger 1994. Application of Genetic Function Approximation to Quantitatir Structure-Activity Relationships and Quantitative Structure-Property Relationships. Journal Chemical Information and Computer Science 34 854-866. 

D Rogers, AJ Hopflnger. Application of genetic function approximation to quantitative strac-ture-activity relationships and quantitative structure-property relationships. J Chem Inf Comput Sci 34(4) 854-866, 1994. 

The neuropeptide Y (NPY) belongs to a family of peptides that includes peptide YY and pancreatic polypeptide, and it is associated with several diseases such as asthma, immune system disorders, inflammatory diseases, anxiety, depression and diabetes mellitus. NPY is found in the central and peripheral nervous system, and its biological functions are mediated by interactions with five receptor sub-types, i.e. Yl, Y2, Y4, Y5 and Y6. Several studies indicate that the feeding behavior is influenced by interactions between NPY and Yl and Y5. Deswal and Roy used Cerius descriptors and genetic function approximation QSAR to investigate the structural determinants for the inhibition potency of 24 compounds with the general structure 4 for the NPY Y5 receptor [31]. The best QSAR (H = 0.720,... 

F. (2006) A genetic-function-approximation-based QSAR model for the affinity of arylpiperazines toward alphal adrenoceptors. Journal of Chemical Information and Modeling, 46, 1466-1478. 

Rogers, D. Hopfingee, A.J. Application of genetic function approximation to quantitative structure-activity relationships and quantitative structure-property relationships. J. Chem. Inf. Comput. Sci. 1994, 34, 854-866. Kubinyi, H. Variable selection in QSAR studies. 1. An evolutionary algorithm. Quantum Struct.-Act. Relat. 1994, 13, 285-294. 

Sivakumar, P.M., Babu, S.K.G., Mukesh, D. QSAR studies on chalcones and flavonoids as antituberculosis agents using genetic function approximation (GFA) method. Chem. Pharm. Bull. 2007, 55, 44-9. 

LM Shi, Y Fan, TG Myers, PM O Connor, KD Pauli, SH Friend, JN Weinstein. Mining the NCI anticancer drug discovery databases genetic function approximation for the QSAR study of anticancer ellipticine analogues. J Chem Inf Comput Sci 38 189-199, 1998. 

Chalcones and flavonoids 9-33 48 Genetic function approximation internally cross-validated (q2 = 0.79-0.94) Sivakumar et al. (35)... 

As an example, using the best 10 descriptors selected by the Genetic Function Approximation approach (Clark and Westhead, 1996 Forrest, 1993) from 153 descriptors, we were able to construct a Decision Tree model consisting of 5 meaningful descriptors ... 

Friedman s lack-of fit function variable selection (0 Genetic Function Approximation)... 

Makhija, M.T. and Kulkarni, V.M. (2002b) QSAR of HIV-1 integrase inhibitors by genetic function approximation method. Bioorg. Med. Chem., 10, 1483-1497. 

Rogers, D. (1995) Genetic function approximation a genetic approach to building quantitative structure-activity relationship models, in QSAR and Molecular Modelling Concepts, Computational Tools and Biological Applications (eds F. Sanz, J. Giraldo and F. Manaut), Prous Science, Barcelona (Spain), pp. 420-426. 

Roy, K. and Ghosh, G. (2005) QSTR with extended topochemical atom indices. Part 5. Modeling of the acute toxicity of phenylsulfonyl carboxylates to Vibrio fischeri using genetic function approximation. Bioorg. Med. Chem.,... 

---