1. A graph-convolutional neural network model for the prediction of chemical reactivity. Issue 2 (4th December 2018) Authors: Coley, Connor W.; Jin, Wengong; Rogers, Luke; Jamison, Timothy F.; Jaakkola, Tommi S.; Green, William H.; Barzilay, Regina; Jensen, Klavs F. Journal: Chemical science Issue: Volume 10:Issue 2(2019) Page Start: 370 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Towards efficient discovery of green synthetic pathways with Monte Carlo tree search and reinforcement learning. Issue 40 (22nd September 2020) Authors: Wang, Xiaoxue; Qian, Yujie; Gao, Hanyu; Coley, Connor W.; Mo, Yiming; Barzilay, Regina; Jensen, Klavs F. Journal: Chemical science Issue: Volume 11:Issue 40(2020) Page Start: 10959 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗