Hi,
Actually i am using PHASE module of Schrodinger for Pharmacophore Hypothesis Development. For validation of hypothesis it uses the inbuilt library of decoy at the time of Pharmacophore development. Do i have need to perform separate validation again for developed Pharmacophore? Or i can directly use developed Pharmacophore for virtual screening of database?
And also can anyone help me that how to analyse the hypothesis validation result? What are the reliable values of EF, ROC, RIE and GH parameters for validation of hypothesis to be used for virtual screening?
Thanks
Validation is a procedure to search for the reliable pharmacophore model. You can go for other validation procedures also, if you want to.
EF, ROC, RIE and GH parameters predicts the efficiency and reliability of the model to pick actives in a dataset of actives and inactives.
EF quantifies the recognition of the actives explicitly compared to the presumed inactives and its higher value corresponds to the better performance and reliability of the model.
ROC predict the accuracy of the model to pick actives prior to presumed inactives.
GH evaluate the goodness of hit exhibited by the pharmacophores.
You can read the attached paper for further information
Article In search of the representative pharmacophore hypotheses of ...
If the hypothesis looks reasonable, the best is to proceed to its experimental testing.
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