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

Applications of a HOUDINI-based structure elucidation system.

K-P Schulz1, A Korytko, M E Munk

  • 1Department of Chemistry and Biochemistry, Arizona State University, Tempe, Arizona 85287, USA.

Journal of Chemical Information and Computer Sciences
|September 23, 2003
PubMed
Summary
This summary is machine-generated.

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

HOUDINI: a new approach to computer-based structure generation.

Journal of chemical information and computer sciences·2003
Same author

A novel formalism to characterize the degree of unsaturation of organic molecules.

Journal of chemical information and computer sciences·2001
Same author

Performance of whole blood IFN-gamma test for tuberculosis diagnosis based on PPD or the specific antigens ESAT-6 and CFP-10.

The international journal of tuberculosis and lung disease : the official journal of the International Union against Tuberculosis and Lung Disease·2001
Same author

Numbers of IFN-gamma-producing cells against ESAT-6 increase in tuberculosis patients during chemotherapy.

The international journal of tuberculosis and lung disease : the official journal of the International Union against Tuberculosis and Lung Disease·2001
Same author

Use of ESAT-6 and CFP-10 antigens for diagnosis of extrapulmonary tuberculosis.

The Journal of infectious diseases·2000
Same author

Specific immune-based diagnosis of tuberculosis.

Lancet (London, England)·2000
Same journal

Future Papers.

Journal of chemical information and computer sciences·2016
Same journal

Future Papers.

Journal of chemical information and computer sciences·2016
Same journal

Future Papers.

Journal of chemical information and computer sciences·2016
Same journal

Future Papers.

Journal of chemical information and computer sciences·2016
Same journal

Future Papers.

Journal of chemical information and computer sciences·2016
Same journal

Future Papers.

Journal of chemical information and computer sciences·2016
See all related articles

The SESAMI program was enhanced with HOUDINI, a new convergent structure generation method. This improved the analysis of complex carbon compounds, offering faster processing and better handling of structural ambiguities.

Area of Science:

  • Chemistry
  • Computational Chemistry
  • Structural Elucidation

Background:

  • The SESAMI program aids in determining complex carbon compound structures.
  • Existing structure reduction-based generators (COCOA) faced limitations with higher molecular weights.

Purpose of the Study:

  • To develop an improved structure generator for SESAMI.
  • To address limitations in analyzing complex, high-molecular-weight compounds.

Main Methods:

  • Developed HOUDINI, a novel convergent structure generation approach.
  • Compared SESAMI performance using COCOA-based versus HOUDINI-based generators.
  • Utilized a test set of complex, naturally occurring compounds.

Main Results:

Related Experiment Videos

  • HOUDINI-based SESAMI demonstrated faster execution times.
  • The HOUDINI approach showed more efficient processing of ambiguous structural data.
  • Improved performance in elucidating complex structures was observed.

    • Conclusions:

    • Convergent structure generation with HOUDINI enhances SESAMI's capabilities.
    • The new method is more efficient for analyzing complex organic compounds.
    • HOUDINI represents a significant advancement in computational structure elucidation.