Use of quantitative structure-activity relationships (QSAR) in drug design

C Hansch - Pharmaceutical Chemistry Journal, 1980 - Springer
Conclusion The problems of improving drugs are so complex that a research worker will
never know if he has finally found the “best” compound in the series. In designing drugs …

The concept of molecular structure in structure–activity relationship studies and drug design

B Testa, LB Kier - Medicinal research reviews, 1991 - Wiley Online Library
The concept of structure-activity relationships (SAR) is a major paradigm in current
pharmacology, encompassing every type of biological activity (biological response) …

Structure of medicinal chemistry

C Hansch - Journal of Medicinal Chemistry, 1976 - ACS Publications
The great advances in biochemistry and molecular biology, the development of physical
organic chemistry, and the availability of large computers are creating opportunities for …

Computer-assisted studies of molecular structure biological activity relationships

PC Jurs, TR Stouch, M Czerwinski… - Journal of Chemical …, 1985 - ACS Publications
The rationalizationof connections between molecular structure and biological activity
comprises thefield of struc-ture-activity relationship (SAR) studies. Correlations between …

Molecular connectivity and substructure analysis

LH Hall, LB Kier - Journal of pharmaceutical sciences, 1978 - Wiley Online Library
Antimicrobial and antiviral data sets were analyzed by molecular connectivity. Standard
structure‐activity relationship equations of high quality were produced in both cases. For …

[引用][C] The relationship between chemical structure and pharmacological activity

BM Bloom, GD Laubach - Annual Review of Pharmacology, 1962 - annualreviews.org
In the broadest sense, all pharmacological stl1dies contribute to the body of knowledge
which empirically relates structure and pharmacological acн tion. The methodical …

[引用][C] Relations between molecular structure and biological activity: stages in the evolution of current concepts

A Albert - Annual Review of Pharmacology, 1971 - annualreviews.org
The discussion of what are at present called" Structure-Action Relation ships" is fundamental
to the teaching of both pharmacology and medicinal chemistry. Such discussions assist also …

[引用][C] Relationships between chemical structure and biological activity

A Burger, AP Parulkar - Annual Review of Pharmacology, 1966 - annualreviews.org
The readers of these Annual Reviews have been presented with several articles on relations
of chemical structure to biological activity in the last few years. Among them were the superb …

Theory of linear equations as applied to quantitative structure-activity correlations

LJ Schaad, BA Hess Jr - Journal of Medicinal Chemistry, 1977 - ACS Publications
There have been a number of errors1 in the literature on quantitative structure-activity
relationships (QSAR) caused by a misunderstanding of points in the theory of linear …

Substructural analysis. Novel approach to the problem of drug design

RD Cramer III, G Redl, CE Berkoff - Journal of Medicinal …, 1974 - ACS Publications
Of the many approaches to theproblem of drug design, those of greatest current utility and
application are the regression techniques commonly associated with the names of Hansch1 …