8 citations · 8 across the 2 of their papers we have counts for
2 papers
cs.LG2025
APEX: Approximate-but-exhaustive search for ultra-large combinatorial synthesis libraries
Aryan Pedawi, Jordi Silvestre-Ryan, Bradley Worley +5
Make-on-demand combinatorial synthesis libraries (CSLs) like Enamine REAL have significantly enabled drug discovery efforts. However, their large size presents a challenge for virt…
q-bio.QM2022★ 8 cited
An efficient graph generative model for navigating ultra-large combinatorial synthesis libraries
Aryan Pedawi, Pawel Gniewek, Chaoyi Chang +2
Virtual, make-on-demand chemical libraries have transformed early-stage drug discovery by unlocking vast, synthetically accessible regions of chemical space. Recent years have witn…