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All receptor data is prepped for MotifScreen Training. If you need the raw files, please refer to the original data sources. All of the data sources (ChEMBL, PDBbind, BioLip, LIT-PCBA, DUD-E, DEKOIS) are publicly available.
PDBbind and BioLip were solely used for training. ChEMBL-test is our newly presented ChEMBL-LR (leakage-resistant) benchmark set.
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