Ontology highlight
ABSTRACT:
SUBMITTER: Moosavi SM
PROVIDER: S-EPMC6358622 | biostudies-literature | 2019 Feb
REPOSITORIES: biostudies-literature
Nature communications 20190201 1
We report a methodology using machine learning to capture chemical intuition from a set of (partially) failed attempts to synthesize a metal-organic framework. We define chemical intuition as the collection of unwritten guidelines used by synthetic chemists to find the right synthesis conditions. As (partially) failed experiments usually remain unreported, we have reconstructed a typical track of failed experiments in a successful search for finding the optimal synthesis conditions that yields H ...[more]