Structural information on 74 2,4-diamino- 5-(substituted benzyl) pyrimidines used as inhibitors of DHFR in E. coli. There are 3 positions where chemical activity occurs and 9 attributes per position leading to 27 total predictors. One predictor had no variability and was removed from the data set. 26 chemical properties of 74 compounds and an activity level
A data frame with 74 observations on the following 27 variables.
measured on a [0,1] scale
measured on a [0,1] scale
measured on a [0,1] scale
measured on a [0,1] scale
measured on a [0,1] scale
measured on a [0,1] scale
measured on a [0,1] scale
measured on a [0,1] scale
measured on a [0,1] scale
measured on a [0,1] scale
measured on a [0,1] scale
measured on a [0,1] scale
measured on a [0,1] scale
measured on a [0,1] scale
measured on a [0,1] scale
measured on a [0,1] scale
measured on a [0,1] scale
measured on a [0,1] scale
measured on a [0,1] scale
measured on a [0,1] scale
measured on a [0,1] scale
measured on a [0,1] scale
measured on a [0,1] scale
measured on a [0,1] scale
measured on a [0,1] scale
measured on a [0,1] scale
log 1/Ki, where Ki is the inhibition constant as experimentally assayed, scaled to [0,1]
data(pyrimidines)
## maybe str(pyrimidines) ; plot(pyrimidines) ...
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