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About 5-HT1A Ligand Functionality Predictor Server

5-HT1A Ligand Functionality Predictor is a computer-aided ligand functionality predictor for 5-HT1A receptor. This project is to provide a web-interfaced facility for data-mining GPCR ligands among scientific research communities.

NOTICE: The general steps for the prediction are

1) Is this compound an active 5-HT1A ligand?

In this step, we use Molprint 2D fingerprint and Bayesian inference methodology to calculate the posterior probability of the compound being active for 5-HT1A receptor.

If the compound is experimentally valided or virtually predicted as "active", continue to the next step.

2) Is this compound an agonist or an antagonist?

Support Vector Machine with Tanimoto Kernel and four different fingerprints is employed to predict the ligand functionality for 5-HT1A receptor.

Citation:Linear and Non-linear Support Vector Machine for the Classification of Human 5-HT1A Ligand Functionality by Lirong Wang#, Chao Ma#,  Peter Wipf and Xiang-Qun Xie* (# contribute equally ) Molecular Informatics, 2012. 31(1): p. 85-95.

 

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This website was created and maintained by Prof.  Xiang-Qun (Sean) Xie’s laboratory

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(Last updated on Nov 3 , 2011)