Comments on: Modern QSAR - Dataset http://voyagememoirs.com/pharmine/2009/01/28/modern-qsar-dataset/ Data mining in Pharmacy Sun, 20 May 2012 14:22:41 +0000 http://wordpress.org/?v=2.3.2 By: Man killed amid Britain’s post-Christmas sales (AP) | usavovelaloc http://voyagememoirs.com/pharmine/2009/01/28/modern-qsar-dataset/#comment-7722 Man killed amid Britain’s post-Christmas sales (AP) | usavovelaloc Wed, 28 Dec 2011 08:31:34 +0000 http://voyagememoirs.com/pharmine/2009/01/28/modern-qsar-dataset/#comment-7722 [...] schumer ascii art ascii art andrew mason once in a blue moon gwar guitarist gwar guitarist LD_AddCustomAttr("AdOpt", "1"); LD_AddCustomAttr("Origin", [...] […] schumer ascii art ascii art andrew mason once in a blue moon gwar guitarist gwar guitarist LD_AddCustomAttr(”AdOpt”, “1″); LD_AddCustomAttr(”Origin”, […]

]]> By: Yap Chun Wei http://voyagememoirs.com/pharmine/2009/01/28/modern-qsar-dataset/#comment-576 Yap Chun Wei Fri, 30 Jan 2009 14:21:19 +0000 http://voyagememoirs.com/pharmine/2009/01/28/modern-qsar-dataset/#comment-576 Testing set is used to help fine tune the model. For example, when using k-nearest neighbour to build a model, we need to find the optimum k. In order to do that, we will use different values of k to build different models and compare the performance of the models on the testing set. Validation set is only used to assess the performance of the final model (i.e. the one with the optimum k). It is not used at any stage during model development. Some researchers prefer to switch the two terms, using validation set to mean the dataset that is used to fine tune model parameters and testing set to assess the final model. But generally, if the dataset (whether validation or testing) is prefixed by "external", it will mean that that dataset is used to assess the final model. Testing set is used to help fine tune the model. For example, when using k-nearest neighbour to build a model, we need to find the optimum k. In order to do that, we will use different values of k to build different models and compare the performance of the models on the testing set.

Validation set is only used to assess the performance of the final model (i.e. the one with the optimum k). It is not used at any stage during model development.

Some researchers prefer to switch the two terms, using validation set to mean the dataset that is used to fine tune model parameters and testing set to assess the final model.

But generally, if the dataset (whether validation or testing) is prefixed by “external”, it will mean that that dataset is used to assess the final model.

]]> By: Vladimir Chupakhin http://voyagememoirs.com/pharmine/2009/01/28/modern-qsar-dataset/#comment-575 Vladimir Chupakhin Fri, 30 Jan 2009 09:35:42 +0000 http://voyagememoirs.com/pharmine/2009/01/28/modern-qsar-dataset/#comment-575 Nice! Long time ago I was stumble upon the term "external test set". So, what is the difference between the validation and testing types of dataset? Nice!

Long time ago I was stumble upon the term “external test set”. So, what is the difference between the validation and testing types of dataset?

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