2 citations · 3 across the 2 of their papers we have counts for
2 papers
cs.LG2024★ 2 cited
Evaluating Molecule Synthesizability via Retrosynthetic Planning and Reaction Prediction
Songtao Liu, Dandan Zhang, Zhengkai Tu +2
A significant challenge in wet lab experiments with current drug design generative models is the trade-off between pharmacological properties and synthesizability. Molecules predic…
cs.LG2024★ 1 cited
Preference Optimization for Molecule Synthesis with Conditional Residual Energy-based Models
Songtao Liu, Hanjun Dai, Yue Zhao +1
Molecule synthesis through machine learning is one of the fundamental problems in drug discovery. Current data-driven strategies employ one-step retrosynthesis models and search al…