Full-text resources of PSJD and other databases are now available in the new Library of Science.
Visit https://bibliotekanauki.pl

Refine search results

Journals help

  1. 1 Open Medicine

Years help

  1. 1 2012

Authors help

  1. 1 Krawczyk B.

Preferences help
Polish version English version Language
enabled [disable] Abstract
Number of results

Results found: 1

Number of results on page
first rewind previous Page / 1 next fast forward last

Search results

Search:
in the keywords:  Pattern recognition
help Sort By:

help Limit search:
first rewind previous Page / 1 next fast forward last
1
Content available remote

Pattern recognition approach to classifying CYP 2C19 isoform

100%
Krawczyk B.
Open Medicine
|
2012
|
vol. 7
|
issue 1
38-44
EN
In this paper a pattern recognition approach to classifying quantitative structure-property relationships (QSPR) of the CYP2C19 isoform is presented. QSPR is a correlative computer modelling of the properties of chemical molecules and is widely used in cheminformatics and the pharmaceutical industry. Predicting whether or not a particular chemical will be metabolized by 2C19 is of primary importance to the pharmaceutical industry. This task poses certain challenges. First of all analyzed data are characterized by a significant biological noise. Additionally the training set is unbalanced, with objects from negative class outnumbering the positives four times. Presented solution deals with those problems, additionally incorporating a throughout feature selection for improving the stability of received results. A strong emphasis is put on the outlier detection and proper model validation to achieve the best predictive power.
first rewind previous Page / 1 next fast forward last
JavaScript is turned off in your web browser. Turn it on to take full advantage of this site, then refresh the page.