6 citations · 19 across the 10 of their papers we have counts for
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cs.CE2024
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…
q-bio.BM2024
Directly Optimizing for Synthesizability in Generative Molecular Design using Retrosynthesis Models
Jeff Guo, Philippe Schwaller
Synthesizability in generative molecular design remains a pressing challenge. Existing methods to assess synthesizability span heuristics-based methods, retrosynthesis models, and…
q-bio.BM2024★ 6 cited
Saturn: Sample-efficient Generative Molecular Design using Memory Manipulation
Jeff Guo, Philippe Schwaller
Generative molecular design for drug discovery has very recently achieved a wave of experimental validation, with language-based backbones being the most common architectures emplo…