12rajnish / DeePred-BBB

DeePred-BBB is a deep Neural network-based model for prediction of blood brain barrier permeability of compounds using Simplified Molecular Input Line Entry System (SMILES) notation of Compounds.
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paper split train/test #8

Open thegodone opened 4 months ago

thegodone commented 4 months ago

I was not able to see the split you use in the table1.xlsx from your paper. Do you have it somewhere ? easier to compare with other methods like graphs not tested in your publication