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Published 20 hours ago • verified publisher icon MarcusOlivecrona

query regarding the target

Open meghanakaranam1 opened this issue 1 year ago • 0 comments

Hello, As mentioned in issue #11, I've trained the model on 1.5M smiles. But as specified in the paper, "The dopamine type 2 receptor DRD2 was chosen as the target, and corresponding bioactivity data was extracted from ExCAPE-DB [33]. In this dataset there are 7218 actives (pIC50 > 5) and 343204 inactives (pIC50 < 5)." I have a few questions to ask on this. @MarcusOlivecrona

  1. is that 1.5M dataset related to DRD2 only?
  2. if yes then how do I filter 1.5M down to ( 343204+7218) please help me understand this. looking forward to hearing from you.

meghanakaranam1 avatar Aug 29 '23 10:08 meghanakaranam1