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

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

Nigam, AkshatKumar; Pollice, Robert; Krenn, Mario; Gomes, Gabriel Dos Passos; Aspuru-Guzik, Alán.

Afiliação

Nigam A; Department of Computer Science, University of Toronto Canada alan@aspuru.com.
Pollice R; Department of Chemistry, University of Toronto Canada.
Krenn M; Department of Computer Science, University of Toronto Canada alan@aspuru.com.
Gomes GDP; Department of Chemistry, University of Toronto Canada.
Aspuru-Guzik A; Department of Computer Science, University of Toronto Canada alan@aspuru.com.

Chem Sci ; 12(20): 7079-7090, 2021 Apr 20.

Article em En | MEDLINE | ID: mdl-34123336

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Revista: Chem Sci Ano de publicação: 2021 Tipo de documento: Article

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google