XGB-solubility

Top XGB 1146 vars (descriptors+fingerprints) model on 9709 AqSolDB comps (HAC>3) test=seq(2,9709,by=6),train=rest

Name		Name	Last commit message	Last commit date
Latest commit History 18 Commits
AqSolDB-n_test_set_LogS.csv		AqSolDB-n_test_set_LogS.csv
AqSolDB-n_test_set_mol_descr.csv		AqSolDB-n_test_set_mol_descr.csv
AqSolDB_w-All_Variable_names.csv		AqSolDB_w-All_Variable_names.csv
COCONUT_406919.smi		COCONUT_406919.smi
DrugBank_11370.smi		DrugBank_11370.smi
EM-N_code.R		EM-N_code.R
FSTI-XGB_1619		FSTI-XGB_1619
Necessary_instructions.docx		Necessary_instructions.docx
PubChem_72739.smi		PubChem_72739.smi
README.md		README.md
Supplementary_data_sets_table.xlsx		Supplementary_data_sets_table.xlsx
Test_repr_code.R		Test_repr_code.R
Y.csv		Y.csv
acetone_set_descriptors.csv		acetone_set_descriptors.csv
ethanol_set_descriptors.csv		ethanol_set_descriptors.csv
meanvect.csv		meanvect.csv
methanol_set_descriptors.csv		methanol_set_descriptors.csv
sdvect.csv		sdvect.csv
water_set_wide_descriptors.csv		water_set_wide_descriptors.csv

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