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Name Modified Size InfoDownloads / Week
trainset.sdf 2013-07-17 2.4 MB
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trainset_PP_descriptors.txt 2013-07-17 113.4 kB
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trainset_PP_descriptors_simple.txt 2013-07-17 39.4 kB
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trainset_FCFP_4.txt 2013-07-17 2.2 MB
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trainset_MDLPublicKeys.txt 2013-07-17 377.1 kB
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trainset_ECFP_4.txt 2013-07-17 2.2 MB
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testset.sdf 2013-07-17 52.9 MB
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testset_PP_descriptors.txt 2013-07-17 1.4 MB
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testset_PP_descriptors_simple.txt 2013-07-17 454.6 kB
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testset_MDLPublicKeys.txt 2013-07-17 4.5 MB
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testset_FCFP_4.txt 2013-07-17 26.5 MB
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testset_ECFP_4.txt 2013-07-17 26.5 MB
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final_script_MetaboliteLikeness.R 2013-07-17 30.6 kB
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ExtEval_HMDB_unofficial.sdf 2013-07-17 1.7 MB
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ExtEval_HMDB_unofficial_ECFP_4.txt 2013-07-17 955.5 kB
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ExtEval_HMDB_unofficial_FCFP_4.txt 2013-07-17 955.5 kB
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ExtEval_HMDB_unofficial_MDLPublicKeys.txt 2013-07-17 162.1 kB
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ExtEval_HMDB_unofficial_PP_descriptors.txt 2013-07-17 48.0 kB
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ExtEval_HMDB_unofficial_PP_descriptors_simple.txt 2013-07-17 15.6 kB
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ExtEval_DrugBank.sdf 2013-07-17 16.2 MB
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ExtEval_DrugBank_PP_descriptors.txt 2013-07-17 662.3 kB
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ExtEval_DrugBank_PP_descriptors_simple.txt 2013-07-17 207.0 kB
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ExtEval_DrugBank_MDLPublicKeys.txt 2013-07-17 2.3 MB
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ExtEval_DrugBank_FCFP_4.txt 2013-07-17 13.5 MB
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ExtEval_DrugBank_ECFP_4.txt 2013-07-17 13.5 MB
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ExtEval_Chembl.sdf 2013-07-17 20.0 MB
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ExtEval_Chembl_MDLPublicKeys.txt 2013-07-17 2.2 MB
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ExtEval_Chembl_PP_descriptors.txt 2013-07-17 669.9 kB
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ExtEval_Chembl_PP_descriptors_simple.txt 2013-07-17 233.2 kB
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ExtEval_Chembl_FCFP_4.txt 2013-07-17 13.1 MB
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ExtEval_Chembl_ECFP_4.txt 2013-07-17 13.1 MB
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Totals: 31 Items   219.1 MB 0