Geun Ho

Apr 29, 2024 | pubs.acs.org | SeongMin Kim |Yousung Jung |Joshua Schrier |Geun Ho

Synthesizing novel compositions of matter is a prerequisite for scientific and practical breakthroughs. (1) Discovery would be accelerated if one could predict whether a hypothetical compound could be made and what precursors should be used to make it. Human experts have developed physical theories and heuristic rules for these tasks, (2−6) but increasingly machine learning (ML) is used to predict synthesizability (7−11) and select precursors.