Towards understanding retrosynthesis by energy-based models
Ruoxi Sun, Hanjun Dai, Li Li, Steven Kearnes, Bo Dai
2021Neural Information Processing Systems17 citations
Topics & Concepts
Retrosynthetic analysisComputer scienceEnergy (signal processing)MathematicsOrganic chemistryChemistryStatisticsTotal synthesisEnvironmental Impact and SustainabilityAdvanced Neural Network Applications