Improved Discriminant Training and Feature Extraction for the Generation of Simulated Mass Spectra of Small Organic Molecules

$29.00 plus tax (Refund Policy)

Buy Article:


An empirical method employing computerized pattern recognition techniques has been applied previously to the generation of simulated mass spectra of small organic molecules. The techniques have been improved in two ways to yield superior performance. First, a method for training adaptive binary pattern classifiers using an iterative least squares approach is used. Second, a feature extraction technique known as an attribute inclusion algorithm is used to investigate the importance of multiple features in the molecular descriptions.

Keywords: Computer applications; Mass spectrometry; Pattern recognition

Document Type: Research Article


Affiliations: Department of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16802

Publication date: May 1, 1973

More about this publication?
Related content



Share Content

Access Key

Free Content
Free content
New Content
New content
Open Access Content
Open access content
Subscribed Content
Subscribed content
Free Trial Content
Free trial content
Cookie Policy
Cookie Policy
ingentaconnect website makes use of cookies so as to keep track of data that you have filled in. I am Happy with this Find out more