Table 3. Percentile of the averaged new molecule score relative to the training data. The results of 5 separate train/test set splits of 90/10 are provided.

Objective	Baseline	Constrained
log P composite	36 ± 14	92 ± 4
QED composite	14 ± 3	72 ± 10
QED	11 ± 2	79 ± 4