10 citations · 11 across the 3 of their papers we have counts for
3 papers
SynCoGen: Synthesizable 3D Molecule Generation via Joint Reaction and Coordinate Modeling
Andrei Rekesh, Miruna Cretu, Dmytro Shevchuk +6
Synthesizability remains a critical bottleneck in generative molecular design. While recent advances have addressed synthesizability in 2D graphs, extending these constraints to 3D…
Scalable and Cost-Efficient de Novo Template-Based Molecular Generation
Piotr Gaiński, Oussama Boussif, Andrei Rekesh +5
Template-based molecular generation offers a promising avenue for drug design by ensuring generated compounds are synthetically accessible through predefined reaction templates and…
RGFN: Synthesizable Molecular Generation Using GFlowNets
Michał Koziarski, Andrei Rekesh, Dmytro Shevchuk +6
Generative models hold great promise for small molecule discovery, significantly increasing the size of search space compared to traditional in silico screening libraries. However,…