Quantitative Structure–Activity Relationships in Drug Design
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[1] William C. Herndon,et al. Molecular similarity concepts. 5. Analysis of steroid-protein binding constants , 1991 .
[2] A. Leo,et al. Hydrophobicity and central nervous system agents: on the principle of minimal hydrophobicity in drug design. , 1987, Journal of pharmaceutical sciences.
[3] R Griffiths,et al. Development of a new physicochemical model for brain penetration and its application to the design of centrally acting H2 receptor histamine antagonists. , 1988, Journal of medicinal chemistry.
[4] Richards Wg,et al. QSAR's from similarity matrices. Technique validation and application in the comparison of different similarity evaluation methods. , 1993 .
[5] R. Mannhold,et al. Calculation Procedures for Molecular Lipophilicity: a Comparative Study† , 1996 .
[6] Hans-Joachim Böhm,et al. The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure , 1994, J. Comput. Aided Mol. Des..
[7] C. Hansch,et al. p-σ-π Analysis. A Method for the Correlation of Biological Activity and Chemical Structure , 1964 .
[8] H. Kubinyi. QSAR: Hansch Analysis and Related Approaches: Kubinyi/QSAR , 1993 .
[9] S. Gupta. QSAR studies on enzyme inhibitors , 1987 .
[10] A. Good,et al. Structure-activity relationships from molecular similarity matrices. , 1993, Journal of medicinal chemistry.
[11] Y. Martin,et al. PLS analysis of distance matrices to detect nonlinear relationships between biological potency and molecular properties. , 1995, Journal of medicinal chemistry.
[12] J. Topliss,et al. Chance correlations in structure-activity studies using multiple regression analysis , 1972 .
[13] S. Free,et al. A MATHEMATICAL CONTRIBUTION TO STRUCTURE-ACTIVITY STUDIES. , 1964, Journal of medicinal chemistry.
[14] C Hansch,et al. Separation of electronic and hydrophobic effects for the papain hydrolysis of substituted N-benzoylglycine esters. , 1991, Biochimica et biophysica acta.
[15] Jeffrey M. Blaney,et al. Structure-activity relationships of dihydrofolated reductase inhibitors , 1984 .
[16] C. Hansch. Quantitative structure-activity relationships and the unnamed science , 1993 .
[17] Stefan H. Unger,et al. Model building in structure-activity relations. Reexamination of adrenergic blocking activity of .beta.-halo-.beta.-arylalkylamines , 1973 .
[18] Hugo Kubinyi,et al. Evolutionary variable selection in regression and PLS analyses , 1996 .
[19] Anton J. Hopfinger,et al. Application of Genetic Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships , 1994, J. Chem. Inf. Comput. Sci..
[20] R. Cramer,et al. Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins. , 1988, Journal of the American Chemical Society.
[21] R. Boggia,et al. Genetic algorithms as a strategy for feature selection , 1992 .