RetroSynX: A retrosynthetic analysis framework using hybrid reaction templates and group contribution-based thermodynamic models
Wenlong Wang, Qilei Liu, Lei Zhang, Yachao Dong, Jian Du
Topics & Concepts
Retrosynthetic analysisTemplateCheminformaticsComputer scienceData miningBiochemical engineeringEngineeringChemistryProgramming languageTotal synthesisComputational chemistryOrganic chemistryComputational Drug Discovery MethodsMachine Learning in Materials ScienceProcess Optimization and Integration