Extended Data Figure 13. Application of V-SYNTHES to the discovery of ROCK1 inhibitors.

(a-b) Computational assessment of V-SYNTHES performance vs standard VLS. (a) The number of candidate hits at each score threshold from V-SYNTHES and standard VLS. (b) Enrichment in V-SYNTHES vs. standard VLS at different score thresholds, with the red x-mark showing threshold that yields 100 hits in the 2-component library. (c) Chemical structures of all selected by V-SYNTHES and synthesized compounds for ROCK1 kinase.