Synthetic accessibility scoring and its application to the high-throughput design of energetic molecules
Yining Zhang, Zhixiang Zhang, Linyuan Wen, Yingzhe Liu
Abstract
Synthetic accessibility assessment of energetic molecules is a bridge from conceptual design to practical synthesis. Ten mainstream scoring models are classified into two types: based on the molecular structure and based on synthetic routes.
Topics & Concepts
ThroughputComputer scienceNanotechnologyMaterials scienceOperating systemWirelessComputational Drug Discovery MethodsEnergetic Materials and CombustionMass Spectrometry Techniques and Applications