In this section, we do not aim to provide a complete review of existing literature on retrosynthesis and/or molecular featurisation. The reader is referred to Zhong et al. for a comprehensive analysis of the current state of literature or to the ESI (Table ) for a short summary. Moreover, the reader is referred to Wigh et al. for an excellent introduction to (machine-readable) molecular representation. Instead, we focus on key developments and discuss the benchmarked algorithms in greater detail.