Binary QSAR Data

Value

binary_tr,binary_ukn

data frame frames with 67 columns

Details

These data are from two different sources on quantitative structure-activity relationship (QSAR) modeling and contain 67 predictors that are either 0 or 1. The training set contains 4,330 samples and there are five unknown samples (both from the Mutagen data in the QSARdata package).

Examples

data(qsar_binary)
str(binary_tr)
#> 'data.frame':	4330 obs. of  67 variables:
#>  $ predictor01: num  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor02: num  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor03: num  1 1 1 1 1 1 1 1 1 1 ...
#>  $ predictor04: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor05: num  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor06: num  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor07: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor08: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor09: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor10: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor11: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor12: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor13: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor14: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor15: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor16: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor17: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor18: int  0 0 0 1 0 0 0 0 0 0 ...
#>  $ predictor19: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor20: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor21: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor22: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor23: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor24: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor25: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor26: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor27: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor28: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor29: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor30: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor31: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor32: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor33: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor34: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor35: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor36: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor37: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor38: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor39: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor40: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor41: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor42: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor43: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor44: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor45: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor46: num  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor47: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor48: num  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor49: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor50: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor51: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor52: int  1 1 1 0 1 0 1 1 0 0 ...
#>  $ predictor53: int  0 0 1 0 1 0 0 0 0 0 ...
#>  $ predictor54: int  0 0 1 0 1 0 1 1 0 0 ...
#>  $ predictor55: int  0 0 1 0 0 0 0 0 0 0 ...
#>  $ predictor56: int  0 0 1 0 1 0 1 0 0 0 ...
#>  $ predictor57: int  0 0 1 0 1 0 0 0 0 0 ...
#>  $ predictor58: int  0 0 1 0 1 0 1 0 0 0 ...
#>  $ predictor59: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor60: int  0 0 1 0 1 0 1 0 0 0 ...
#>  $ predictor61: int  0 0 1 0 1 0 0 0 0 0 ...
#>  $ predictor62: int  1 0 1 0 1 0 0 1 0 0 ...
#>  $ predictor63: int  0 0 0 0 0 0 0 0 0 0 ...
#>  $ predictor64: int  1 1 1 0 1 0 1 1 0 0 ...
#>  $ predictor65: int  0 0 1 0 1 0 0 0 0 0 ...
#>  $ predictor66: int  1 1 1 0 1 0 1 1 0 0 ...
#>  $ predictor67: int  0 0 1 0 1 0 0 1 0 0 ...