1 citations · 1 across the 2 of their papers we have counts for
3 papers
TempRe: Template generation for single and direct multi-step retrosynthesis
Nguyen Xuan-Vu, Daniel P Armstrong, Zlatko Jončev +1
Retrosynthesis planning remains a central challenge in molecular discovery due to the vast and complex chemical reaction space. While traditional template-based methods offer tract…
Generative Molecular Design with Steerable and Granular Synthesizability Control
Jeff Guo, Víctor Sabanza-Gil, Olha Semenenko +20
Designing molecules that are both property-optimal and readily synthesizable is a central challenge in drug discovery. Existing works that do consider synthesizability can jointly…
Tango*: Constrained synthesis planning using chemically informed value functions
Daniel Armstrong, Zlatko Joncev, Jeff Guo +1
Computer-aided synthesis planning (CASP) has made significant strides in generating retrosynthetic pathways for simple molecules in a non-constrained fashion. Recent work introduce…