Beyond generative models: superfast traversal, optimization, novelty, exploration and discovery (STONED) algorithm for molecules using SELFIES

AkshatKumar Nigam, Robert Pollice, Mario Krenn, Gabriel dos Passos Gomes, Alán Aspuru-Guzik

Research output: Contribution to journalArticleAcademicpeer-review

74 Citations (Scopus)
29 Downloads (Pure)
Original languageEnglish
Pages (from-to)7079-7090
Number of pages12
JournalChemical Science
Issue number20
Publication statusPublished - 2021
Externally publishedYes

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