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2P2I Hunter

 

Overview:

A general analysis of the molecular descriptors of the small molecule modulators present in the 2P2I database led us to define a general profile for these compounds. We have proposed a ‘Rule-of-Four’ as a guideline to characterize this particular chemical space.

Using more thorough statistical and learning machine analyses we are now ready to provide new tools to achieve higher confidence evaluation of small chemical compounds as orthosteric PPII modulators. The ultimate goal is to propose to the scientific community a way to filter proprietary chemical libraries
to design PPI-targeted libraries.

For references, read:

Download 2P2I hunter dataset:

Decoys:download decoys datasetPositive training set:Download positive training set