Quantitative Structure–Activity Relationships in Drug Design

[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 .