pparg | R Documentation |
A dataset containing docking scores for the protein regulating gene peroxisome proliferator-activated receptor gamma (PPARg). 3212 ligands are scored. Scores are provided for three docking methods: Surflex-dock, ICM, and Vina. Scores are also provided for two consensus methods: the minimum rank consensus of Surflex-dock and ICM, and the maximum z-score consensus of Surflex-dock and ICM. Docking scores have been rescaled so that larger values suggest active ligands.
pparg
A data frame with 3212 rows and 15 variables:
unique ligand identifier
score from Surflex-dock
activity label of ligand: 1 means active, 0 means not active
unique ligand identifier
score from ICM
activity label of ligand: 1 means active, 0 means not active
unique ligand identifier
score from Vina
activity label of ligand: 1 means active, 0 means not active
unique ligand identifier
score from the minimum rank consensus of Surflex-dock and ICM
activity label of ligand: 1 means active, 0 means not active
unique ligand identifier
score from the maximum z-score consensus of Surflex-dock and ICM
activity label of ligand: 1 means active, 0 means not active
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