« Health Discovery Corporation holds the patents to SVM and RFE
Modern QSAR - Dataset »

OECD Principles For The Validation, For Regulatory Purposes, Of (Quantitative) Structure-Activity Relationship Models

In 2004, OECD came up with 5 principles for QSAR models. They are:

  1. a defined endpoint
  2. an unambiguous algorithm
  3. a defined domain of applicability
  4. appropriate measures of goodness-of– fit, robustness and predictivity
  5. a mechanistic interpretation, if possible

If you are working on QSAR models, it will be good for you to know these principles and apply them in your work.

For more information on these principles, you can go to the OECD website

Share This

This entry was posted by Yap Chun Wei on Tuesday, December 16th, 2008 at 5:29 pm and is filed under Data mining, Pharmacy. You can follow any responses to this entry through the RSS 2.0 feed. You can leave a response, or trackback from your own site.

One Response to “OECD Principles For The Validation, For Regulatory Purposes, Of (Quantitative) Structure-Activity Relationship Models”

  1. silvia Says:
    April 20th, 2010 at 9:32 pm

    If you are working on QSAR models, it is good to apply the OECD principles and to report your model in the JRC QSAR Model Database, which is freely accessible from the JRC website (http://ecb.jrc.ec.europa.eu/qsar/qsar-tools/index.php?c=QRF)

Leave a Reply

Close
E-mail It