Computer-aided retrosynthetic design: fundamentals, tools, and outlook
Yijia Sun, Nikolaos V. Sahinidis
Topics & Concepts
Retrosynthetic analysisRanking (information retrieval)Computer scienceComputer-aidedEngineeringArtificial intelligenceMachine learningProgramming languageTotal synthesisOrganic chemistryChemistryMachine Learning in Materials ScienceComputational Drug Discovery MethodsChemical Synthesis and Analysis