Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Videos

Pattern recognition of steroids using fragment molecular connectivity

D R Henry, J H Block

    Journal of Pharmaceutical Sciences
    |September 1, 1980
    PubMed
    Summary

    Pattern recognition methods were used to classify steroids into therapeutic categories. These methods showed no advantage over discriminant analysis for classification alone, with varying misclassified compounds based on data view.

    Related Concept Videos

    You might also read

    Related Articles

    Articles linked to this work by shared authors, journal, and citation graph.

    Sort by
    Same author

    Factors that influence the decision to do an adequate evaluation of a patient with a positive stool for occult blood.

    The American journal of gastroenterology·2001
    Same author

    ROMK inwardly rectifying ATP-sensitive K+ channel. II. Cloning and distribution of alternative forms.

    The American journal of physiology·1995
    Same author

    Personality antecedents of depressive tendencies in 18-year-olds: a prospective study.

    Journal of personality and social psychology·1991
    Same author

    Depressive symptoms and personality during late adolescence: gender differences in the externalization-internalization of symptom expression.

    Journal of abnormal psychology·1988
    Same author

    Parental agreement on child rearing during early childhood and the psychological characteristics of adolescents.

    Child development·1988
    Same author

    Longitudinally foretelling drug usage in adolescence: early childhood personality and environmental precursors.

    Child development·1988

    Area of Science:

    • Medicinal Chemistry
    • Cheminformatics

    Background:

    • Steroid classification is crucial for understanding therapeutic applications.
    • Pattern recognition offers novel approaches to chemical data analysis.

    Purpose of the Study:

    • To investigate the efficacy of pattern recognition methods for classifying steroids into five therapeutic categories.
    • To compare pattern recognition with traditional discriminant analysis techniques.

    Main Methods:

    • Determined first-order fragment molecular connectivity values for steroid molecules.
    • Employed a template-based method for position assignment.
    • Performed classifications using learning and test sets with pattern recognition and discriminant analyses.

    Main Results:

    • Misclassification numbers were similar across methods, but identities of misclassified compounds differed based on data perspective (local vs. global).
    • Optimal pattern recognition results were comparable to linear and quadratic discriminant analyses.
    • Discriminant analysis often incorporates stepwise variable selection, unlike typical pattern recognition.

    Conclusions:

    • Pattern recognition methods do not offer superior classification performance compared to traditional discriminant analysis for this steroid dataset.
    • The choice of data view (local vs. global) impacts which compounds are misclassified.
    • Discriminant analysis may be preferred due to its common use of stepwise variable selection.

    Related Experiment Videos