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Neuraldecipher - reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structures.
Le, Tuan; Winter, Robin; Noé, Frank; Clevert, Djork-Arné.
Afiliação
  • Le T; Department of Digital Technologies, Bayer AG Berlin Germany tuan.le2@bayer.com djork-arne.clevert@bayer.com.
  • Winter R; Department of Mathematics and Computer Science, Freie Universität Berlin Berlin Germany.
  • Noé F; Department of Digital Technologies, Bayer AG Berlin Germany tuan.le2@bayer.com djork-arne.clevert@bayer.com.
  • Clevert DA; Department of Mathematics and Computer Science, Freie Universität Berlin Berlin Germany.
Chem Sci ; 11(38): 10378-10389, 2020 Sep 11.
Article em En | MEDLINE | ID: mdl-34094299
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Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2020 Tipo de documento: Article
Texto completo
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XML
PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2020 Tipo de documento: Article