Table 2: Statistical performance of synthetic accessibility (SA) scores on two external test sets.

From: SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

Test setSwissADMEOriginal models published with the test set
 #molecule[a]#chemist[b]MAE[c]RMSE [d]r[e]MAERMSErReference
14090.630.810.960.911.130.9411
211441.021.330.621.071.410.6265
  1. aNumber of external molecules; bnumber of chemist marks; cmean average error; droot mean square error; elinear correlation coefficient.