Self-referencing embedded strings (SELFIES): A 100% robust molecular string representation

Mario Krenn^1,2,3, Florian Häse^1,2,3,4, AkshatKumar Nigam², Pascal Friederich^2,5 and Alan Aspuru-Guzik^1,2,3,6

Published 28 October 2020 • © 2020 The Author(s). Published by IOP Publishing Ltd
Machine Learning: Science and Technology, Volume 1, Number 4 Citation Mario Krenn et al 2020 Mach. Learn.: Sci. Technol. 1 045024 DOI 10.1088/2632-2153/aba947