Scaffold elaboration. PDBbind set results (see Methods, Evaluation metrics for definitions of the metrics).

Metric	Scaffold-Decorator	DeLinker	DeLinker-Counts	DEVELOP
Valid	99.9%	100.0%	100.0%	99.5%
Unique	23.4%	87.8%	81.6%	76.2%
Novel	2.0%	71.1%	79.2%	78.2%
Recovered	0.0%	1.0%	4.5%	15.3%
Pass 2D filters	98.9%	55.3%	47.8%	51.3%
SC RDKit generated
>0.6	4.3%	2.6%	4.6%	12.0%
>0.7	0.9%	0.7%	1.3%	4.3%
>0.8	0.3%	0.1%	0.4%	0.9%
>0.9	0.0%	0.0%	0.2%	0.1%