Using Enamine REAL Space library, two scaffold-focused datasets are developed and the make-on-demand chemical space containing the same scaffolds are systematically compared. The results …

Nov 7, 2025 · This work formulates an evolutionary algorithm for optimization and exploration of ultra-large make-on-demand libraries.

Enamine's REAL Space represents the world’s largest, continuously expanding make-on-demand virtual library, built on insights from millions of parallel syntheses.

Here we investigate structure-based docking of 170 million make-on-demand compounds from 130 well-characterized reactions. The resulting library is diverse, representing over 10.7 million...

Nov 14, 2025 · Using Enamine REAL Space library, two scaffold-focused datasets are developed and the make-on-demand chemical space containing the same scaffolds are systematically compared. …

Aug 25, 2023 · Commercial libraries, which are the primary source of compounds in academic screening efforts, can be grouped into two categories: “in-stock” and “synthesize-on-demand.” As of 2021, in …

Jan 16, 2023 · To investigate how this similarity to bio-like molecules changed with library size, we compared the 3.5 million in-stock library and the 3.1 billion make-on-demand library to worldwide...

2.1 Combinatorial Libraries ce defined by the make-on-demand library. Examples of such libraries are Enamine REAL space, Otava CHEMriya space, and uXi LabNetwork GalaXi space [14, 41, 55]. …

Aug 1, 2024 · Available building blocks are systematically coupled in silico to afford virtual make-on-demand libraries containing several billion compounds. Molecules in these databases can be …

Apr 26, 2024 · We propose an evolutionary algorithm to search combinatorial make-on-demand chemical space efficiently without enumerating all molecules. We exploit the feature of make-on …