Synthetic accessibility assessment using auxiliary responses

作者：

Highlights：

• We propose prediction methods of synthetic accessibility with semi-experts.

• Auxiliary responses that focus on the structure of targets lead to high performance.

• Our methods identify skilled semi-experts and problematic substructures.

摘要

•We propose prediction methods of synthetic accessibility with semi-experts.•Auxiliary responses that focus on the structure of targets lead to high performance.•Our methods identify skilled semi-experts and problematic substructures.

论文关键词：Synthetic accessibility,Semi-expert,Auxiliary responses

论文评审过程：Received 28 July 2018, Revised 15 October 2019, Accepted 28 November 2019, Available online 29 November 2019, Version of Record 11 December 2019.

论文官网地址：https://doi.org/10.1016/j.eswa.2019.113106