Chemical Space

Scaffold-Based Libraries Versus Make-on-Demand Space: A Comparative Assessment of Chemical Content.

The scaffold-based and the reaction-based approaches to virtual library creation, analyzed here using ≈1.5 million amide and sulfonamide products, generate distinct ensembles when …

Bui, L.

Overlap of On-demand Ultra-large Combinatorial Spaces with On-the-shelf Drug-like Libraries.

On-demand combinatorial spaces are shifting paradigms in early drug discovery, by considerably increasing the searchable chemical space to several billions of compounds while …

Perebyinis, M.