Journal ArticleDOI
Model building in structure-activity relations. Reexamination of adrenergic blocking activity of .beta.-halo-.beta.-arylalkylamines
S. H. Unger,Corwin Hansch +1 more
About:
This article is published in Journal of Medicinal Chemistry.The article was published on 1973-07-01. It has received 64 citations till now. The article focuses on the topics: Beta (finance).read more
Citations
More filters
Journal ArticleDOI
How not to develop a quantitative structure–activity or structure–property relationship (QSAR/QSPR)
TL;DR: 21 types of error that continue to be perpetrated in the QSAR/QSPR literature are identified and each is discussed, with examples (including some of the authors' own).
Journal ArticleDOI
Structure/Response Correlations and Similarity/Diversity Analysis by GETAWAY Descriptors. 2. Application of the Novel 3D Molecular Descriptors to QSAR/QSPR Studies
TL;DR: Predictability ability in structure-property correlations of GETAWAY descriptors has been tested extensively by analyzing the regressions of these descriptors for selected properties of some reference compound classes.
Journal ArticleDOI
Variable Selection in QSAR Studies. I. An Evolutionary Algorithm
TL;DR: A comparison of the results for the Selwood data set with those obtained by other groups shows that more relevant models are derived by the evolutionary approach than by other methods.
Journal ArticleDOI
Variable Selection in QSAR Studies. II. A Highly Efficient Combination of Systematic Search and Evolution
TL;DR: It is demonstrated that systematic search is the best strategy for regression models with two or three X variables, and nearly all relevant regression models are found by this combination of systematic search with the mutation/selection algorithm MUSEUM.
Journal ArticleDOI
QSAR and 3D QSAR in drug design Part 2: applications and problems
TL;DR: It can be predicted that QSAR methods will become essential for handling the huge amount of data associated with combinatorial chemistry.
Related Papers (5)
p-σ-π Analysis. A Method for the Correlation of Biological Activity and Chemical Structure
Corwin Hansch,Toshio Fujita +1 more