Literature DB >> 3199154

Perspectives in QSAR: computer chemistry and pattern recognition.

R M Hyde1, D J Livingstone.   

Abstract

Computer chemistry allows a detailed description of properties for a wide range of molecular environments. In these respects it offers substantial benefits to the QSAR (Quantitative Structure Activity Relationship) analyst. Problems associated with the resulting wide data matrices are, it is proposed, amenable to solution through multivariate 'pattern recognition' techniques.

Mesh：

Year:  1988        PMID： 3199154     DOI： 10.1007/bf01532089

Source DB:  PubMed          Journal:  J Comput Aided Mol Des        ISSN： 0920-654X            Impact factor:   3.686


  19 in total

1.  Multivariate analysis and quantitative structure-activity relationships. Inhibition of dihydrofolate reductase and thymidylate synthetase by quinazolines.

Authors:  B K Chen; C Horváth; J R Bertino
Journal:  J Med Chem       Date:  1979-05       Impact factor: 7.446

2.  Relationships between the biological and physicochemical properties of series of compounds.

Authors:  R M Hyde
Journal:  J Med Chem       Date:  1975-03       Impact factor: 7.446

3.  Theoretical model-based equations for the linear free energy relationships of the biological activity of ionizable substances. 1. Equilibrium-controlled potency.

Authors:  Y C Martin; J J Hackbarth
Journal:  J Med Chem       Date:  1976-08       Impact factor: 7.446

4.  Structure-activity study of beta-adrenergic agents using the SIMCA method of pattern recognition.

Authors:  W J Dunn; S Wold
Journal:  J Med Chem       Date:  1978-09       Impact factor: 7.446

5.  A study of structure-activity relationships of a series of diphenylaminopropanols by factor analysis.

Authors:  M L Weiner; P H Weiner
Journal:  J Med Chem       Date:  1973-06       Impact factor: 7.446

6.  Interdependence between physical parameters and selection of substituent groups for correlation studies.

Authors:  P N Craig
Journal:  J Med Chem       Date:  1971-08       Impact factor: 7.446

7.  The action of anesthetics on excitable membranes: a quantum-chemical analysis.

Authors:  D Agin; L Hersh; D Holtzman
Journal:  Proc Natl Acad Sci U S A       Date:  1965-05       Impact factor: 11.205

8.  A relationship between the hallucinogenic activity of drugs and their electronic configuration.

Authors:  S H Snyder; C R Merril
Journal:  Proc Natl Acad Sci U S A       Date:  1965-07       Impact factor: 11.205

9.  On the rational selection of test series. 1. Principal component method combined with multidimensional mapping.

Authors:  W J Streich; S Dove; R Franke
Journal:  J Med Chem       Date:  1980-12       Impact factor: 7.446

10.  Discriminant analysis of the relationship between physical properties and the inhibition of monoamine oxidase by aminotetralins and aminoindans.

Authors:  Y C Martin; J B Holland; C H Jarboe; N Plotnikoff
Journal:  J Med Chem       Date:  1974-04       Impact factor: 7.446
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  2 in total

1.  Applications of rule-induction in the derivation of quantitative structure-activity relationships.

Authors:  M A-Razzak; R C Glen
Journal:  J Comput Aided Mol Des       Date:  1992-08       Impact factor: 3.686

2.  Pattern recognition display methods for the analysis of computed molecular properties.

Authors:  B Hudson; D J Livingstone; E Rahr
Journal:  J Comput Aided Mol Des       Date:  1989-03       Impact factor: 3.686
  2 in total

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