Progress towards the systematic exploration of biologically-relevant chemical space.

Approach	How informed by NPs	Scaffold selection	Synthesis
Biology-oriented synthesis	Simplified NP scaffolds	SCONP algorithm and Scaffold Hunter tool help scaffold identification	Tailored synthesis developed for each prioritised scaffold
Complexity-to-diversity	NPs are starting materials for synthesis	Tools not currently available to identify NPs that may be suitable substrates	Synthetic methods developed for each NP starting material
Pseudo-NPs	Scaffolds are merged NP fragments	Algorithms to generate merged structures not currently available	Tailored synthesis developed for each prioritised scaffold
Activity-directed synthesis	Broadly parallels emergence of biosynthetic pathways to NPs	Scaffolds are not designed: functionalised scaffolds emerge on the basis of their biological function	Common protocols used for each reaction class used. Reaction arrays are informed by the activity of products obtained in previous rounds. Array design is currently human-driven