data = read.csv("predictions.csv")
cor(data$pKa,data$model1)
# R = 0.933292
cor(data$pKa,data$model1)^2
# R2 = 0.871034
r2 = cor(data$pKa,data$model1)^2
1-(1-r2)*73/72
# adjR2 = 0.8692428
sqrt(mean((data$pKa-data$model1)^2))
# RMSE = 0.7998342
mean(abs(data$pKa-data$model1))
# MAE = 0.5552603
74/1*r2/(1-r2)
# F = 499.7945